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PDB Info pages Status search Chemie search: 35418 results BIRD

U4F

U4F
Name:	15-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-14-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one
Formula:	C23 H20 N2 O3
SMILES:	O=C1c2ccccc2c3cc(nc4cccc1c34)N5CCC6(CC5)OCCO6
InChi:	InChI=1S/C23H20N2O3/c26-22-16-5-2-1-4-15(16)18-14-20(24-19-7-3-6-17(22)21(18)19)25-10-8-23(9-11-25)27-12-13-28-23/h1-7,14H,8-13H2
Definition date:	2023-01-24
Last modified:	2023-09-22
Release date:	2023-09-27
Identifier:	15-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-14-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one

U4O

U4O
Name:	[4-[[(4~{E})-4-(furan-2-ylmethylidene)-2,3-dihydro-1~{H}-acridin-9-yl]carbonyl]piperazin-1-yl]-pyridin-2-yl-methanone
Formula:	C29 H26 N4 O3
SMILES:	O=C(N1CCN(CC1)C(=O)c2c3CCCC(=Cc4occc4)c3nc5ccccc25)c6ccccn6
InChi:	InChI=1S/C29H26N4O3/c34-28(25-12-3-4-13-30-25)32-14-16-33(17-15-32)29(35)26-22-9-1-2-11-24(22)31-27-20(7-5-10-23(26)27)19-21-8-6-18-36-21/h1-4,6,8-9,11-13,18-19H,5,7,10,14-17H2/b20-19+
Definition date:	2023-01-24
Last modified:	2023-09-22
Release date:	2023-09-27
Identifier:	[4-[[(4~{E})-4-(furan-2-ylmethylidene)-2,3-dihydro-1~{H}-acridin-9-yl]carbonyl]piperazin-1-yl]-pyridin-2-yl-methanone

U9F

U9F
Name:	{3-[(1M,2M)-2-{[(1S,2P)-1H,1'H-[2,2'-bipyrrol]-5-yl-kappaN~1~]methylidene}-2H-pyrrol-5-yl-kappaN]-N-(2-{2-[3-({(3M)-3-[(4aM)-3-cyclopropyl-5-(2-fluoro-4-iodoanilino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2H)-yl]phenyl}amino)-3-oxopropoxy]ethoxy}ethyl)propanamidato}(difluorido)boron
Formula:	C47 H46 B F3 I N9 O7
SMILES:	F[B-]1(F)[N+]=2C(=Cc3ccc(c4ccc[NH]4)n31)C=CC=2CCC(=O)NCCOCCOCCC(=O)Nc1cccc(c1)N1C2=C(C)C(=O)N(C)C(Nc3ccc(I)cc3F)=C2C(=O)N(C1=O)C1CC1
InChi:	InChI=1S/C47H46BF3IN9O7/c1-28-43-42(44(57(2)45(28)64)56-37-15-8-29(52)25-36(37)49)46(65)59(31-9-10-31)47(66)58(43)33-6-3-5-30(26-33)55-41(63)18-21-67-23-24-68-22-20-54-40(62)17-14-32-11-12-34-27-35-13-16-39(38-7-4-19-53-38)61(35)48(50,51)60(32)34/h3-8,11-13,15-16,19,25-27,31,53,56H,9-10,14,17-18,20-24H2,1-2H3,(H,54,62)(H,55,63)
Definition date:	2023-08-30
Last modified:	2023-09-22
Release date:	2023-09-27
Identifier:	{3-[(1M,2M)-2-{[(1S,2P)-1H,1'H-[2,2'-bipyrrol]-5-yl-kappaN~1~]methylidene}-2H-pyrrol-5-yl-kappaN]-N-(2-{2-[3-({(3M)-3-[(4aM)-3-cyclopropyl-5-(2-fluoro-4-iodoanilino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2H)-yl]phenyl}amino)-3-oxopropoxy]ethoxy}ethyl)propanamidato}(difluorido)boron

8LH

8LH
Name:	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2~{R})-2-methyl-3-oxidanyl-propanoate
Formula:	C14 H20 N5 O9 P
SMILES:	C[CH](CO)C(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
InChi:	InChI=1S/C14H20N5O9P/c1-6(2-20)14(23)28-29(24,25)26-3-7-9(21)10(22)13(27-7)19-5-18-8-11(15)16-4-17-12(8)19/h4-7,9-10,13,20-22H,2-3H2,1H3,(H,24,25)(H2,15,16,17)/t6-,7-,9-,10-,13-/m1/s1
Definition date:	2017-02-09
Last modified:	2023-09-21
Release date:	2019-08-28
Identifier:	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2~{R})-2-methyl-3-oxidanyl-propanoate

YYQ

YYQ
Name:	2-acetamido-2-deoxy-alpha-L-galactopyranose
Formula:	C8 H15 N O6
SMILES:	O=C(NC1C(O)C(O)C(OC1O)CO)C
InChi:	InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8+/m0/s1
Synonyms:	N-acetyl-alpha-L-galactosamine
Definition date:	2012-12-17
Last modified:	2023-09-20
Release date:	2020-07-29
Identifier:	2-(acetylamino)-2-deoxy-alpha-L-galactopyranose

7UH

7UH
Name:	Doxofylline
Formula:	C11 H14 N4 O4
SMILES:	CN1C(=O)N(C)c2ncn(CC3OCCO3)c2C1=O
InChi:	InChI=1S/C11H14N4O4/c1-13-9-8(10(16)14(2)11(13)17)15(6-12-9)5-7-18-3-4-19-7/h6-7H,3-5H2,1-2H3
Synonyms:	7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethyl-purine-2,6-dione
Definition date:	2021-10-27
Last modified:	2023-09-20
Release date:	2023-02-01
Identifier:	7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethyl-purine-2,6-dione

VY5

VY5
Name:	2-acetamido-4-O-(2-acetamido-2-deoxy-beta-D-glucopyranosyl)-2-deoxy-alpha-D-glucopyranose
Formula:	C16 H28 N2 O11
SMILES:	CC(=O)NC1C(O)C(OC2OC(CO)C(O)C(O)C2NC(C)=O)C(CO)OC1O
InChi:	InChI=1S/C16H28N2O11/c1-5(21)17-9-13(25)14(8(4-20)27-15(9)26)29-16-10(18-6(2)22)12(24)11(23)7(3-19)28-16/h7-16,19-20,23-26H,3-4H2,1-2H3,(H,17,21)(H,18,22)/t7-,8-,9-,10-,11-,12-,13-,14-,15+,16+/m1/s1
Synonyms:	N,N'-Diacetylchitobiose
Definition date:	2022-05-20
Last modified:	2023-09-18
Release date:	2022-06-22
Identifier:	2-acetamido-4-O-(2-acetamido-2-deoxy-beta-D-glucopyranosyl)-2-deoxy-alpha-D-glucopyranose

WB8

WB8
Name:	(4~{Z})-2-(1-adamantylamino)-4-(1,3-benzothiazol-6-ylmethylidene)-1~{H}-imidazol-5-one
Formula:	C21 H22 N4 O S
SMILES:	O=C1NC(=NC1=Cc2ccc3ncsc3c2)NC45CC6CC(CC(C6)C4)C5
InChi:	InChI=1S/C21H22N4OS/c26-19-17(6-12-1-2-16-18(7-12)27-11-22-16)23-20(24-19)25-21-8-13-3-14(9-21)5-15(4-13)10-21/h1-2,6-7,11,13-15H,3-5,8-10H2,(H2,23,24,25,26)/b17-6-/t13-,14+,15-,21-
Definition date:	2023-05-10
Last modified:	2023-09-18
Release date:	2023-05-17
Identifier:	(4~{Z})-2-(1-adamantylamino)-4-(1,3-benzothiazol-6-ylmethylidene)-1~{H}-imidazol-5-one

I8Z

I8Z
Name:	Alpha-D-ribose-1,2-cyclic-phosphate-5-phosphate
Formula:	C5 H10 O10 P2
SMILES:	O[CH]1[CH](CO[P](O)(O)=O)O[CH]2O[P](O)(=O)O[CH]12
InChi:	InChI=1S/C5H10O10P2/c6-3-2(1-12-16(7,8)9)13-5-4(3)14-17(10,11)15-5/h2-6H,1H2,(H,10,11)(H2,7,8,9)/t2-,3-,4-,5-/m1/s1
Synonyms:	[(5~{R},6~{R})-2,6-bis(oxidanyl)-2-oxidanylidene-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3,2]dioxaphosphol-5-yl]methyl dihydrogen phosphate
Definition date:	2022-02-25
Last modified:	2023-09-18
Release date:	2022-05-25
Identifier:	[(3~{a}~{R},5~{R},6~{R},6~{a}~{R})-2,6-bis(oxidanyl)-2-oxidanylidene-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3,2]dioxaphosphol-5-yl]methyl dihydrogen phosphate

O18

O18
Name:	O-palmitoleoyl serine
Formula:	C19 H35 N O4
SMILES:	CCCCCCC=CCCCCCCCC(=O)OC[CH](N)C(O)=O
InChi:	InChI=1S/C19H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)24-16-17(20)19(22)23/h7-8,17H,2-6,9-16,20H2,1H3,(H,22,23)/b8-7-/t17-/m0/s1
Synonyms:	(2S)-2-azanyl-3-[(Z)-hexadec-9-enoyl]oxy-propanoic acid
Definition date:	2020-01-17
Last modified:	2023-09-18
Release date:	2020-07-29
Identifier:	(2~{S})-2-azanyl-3-[(~{Z})-hexadec-9-enoyl]oxy-propanoic acid

2SI

2SI
Name:	2-O-SULFO-A-L-IDURONIC ACID
Formula:	C6 H10 O10 S
SMILES:	O=S(=O)(OC1C(O)C(O)C(OC1O)C(=O)O)O
InChi:	InChI=1/C6H10O10S/c7-1-2(8)4(16-17(12,13)14)6(11)15-3(1)5(9)10/h1-4,6-8,11H,(H,9,10)(H,12,13,14)/t1-,2-,3+,4+,6+/m0/s1/f/h9,12H
Definition date:	2000-04-05
Last modified:	2023-09-18
Identifier:	2-O-sulfo-alpha-L-idopyranuronic acid

ON8

ON8
Name:	1-[(3~{S})-3-azanyl-4-oxidanylidene-butoxy]guanidine
Formula:	C5 H12 N4 O2
SMILES:	N[CH](CCONC(N)=N)C=O
InChi:	InChI=1S/C5H12N4O2/c6-4(3-10)1-2-11-9-5(7)8/h3-4H,1-2,6H2,(H4,7,8,9)/t4-/m0/s1
Definition date:	2020-03-20
Last modified:	2023-09-18
Release date:	2021-02-17
Identifier:	1-[(3~{S})-3-azanyl-4-oxidanylidene-butoxy]guanidine

E7U

E7U
Name:	(1S,2R,3R,4R,5'S,6S,7S,8S,9R,12R,13R,15S,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-3,15,16-triol
Formula:	C27 H44 O5
SMILES:	C[CH]1CC[C]2(OC1)O[CH]3[CH](O)[CH]4[CH]5CC[CH]6C[CH](O)[CH](O)C[C]6(C)[CH]5CC[C]4(C)[CH]3[CH]2C
InChi:	InChI=1S/C27H44O5/c1-14-7-10-27(31-13-14)15(2)21-24(32-27)23(30)22-17-6-5-16-11-19(28)20(29)12-26(16,4)18(17)8-9-25(21,22)3/h14-24,28-30H,5-13H2,1-4H3/t14-,15-,16+,17-,18+,19-,20-,21+,22-,23+,24+,25-,26+,27-/m0/s1
Definition date:	2019-11-13
Last modified:	2023-09-18
Release date:	2020-02-19
Identifier:	(1~{S},2~{R},3~{R},4~{R},5'~{S},6~{S},7~{S},8~{S},9~{R},12~{R},13~{R},15~{S},16~{S},18~{R})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-3,15,16-triol

PMW

PMW
Name:	methyl (2R)-2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]butanoate
Formula:	C22 H23 Cl N4 O2 S
SMILES:	CC[CH]([CH]1N=C(c2ccc(Cl)cc2)c3c(C)c(C)sc3n4c(C)nnc14)C(=O)OC
InChi:	InChI=1S/C22H23ClN4O2S/c1-6-16(22(28)29-5)19-20-26-25-13(4)27(20)21-17(11(2)12(3)30-21)18(24-19)14-7-9-15(23)10-8-14/h7-10,16,19H,6H2,1-5H3/t16-,19+/m1/s1
Definition date:	2020-04-26
Last modified:	2023-09-18
Release date:	2020-05-27
Identifier:	methyl (2~{R})-2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]butanoate

Q7O

Q7O
Name:	(2R,4R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid
Formula:	C12 H19 N3 O5 S
SMILES:	C[CH](O)[CH]([CH]1C[CH](SCCNC=N)C(=N1)C(O)=O)C(O)=O
InChi:	InChI=1S/C12H19N3O5S/c1-6(16)9(11(17)18)7-4-8(10(15-7)12(19)20)21-3-2-14-5-13/h5-9,16H,2-4H2,1H3,(H2,13,14)(H,17,18)(H,19,20)/t6-,7-,8-,9-/m1/s1
Synonyms:	Hydrolyzed Imipenem
Definition date:	2022-10-14
Last modified:	2023-09-18
Release date:	2023-03-08
Identifier:	(2~{R},4~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid

QHD

QHD
Name:	(2~{R})-2-[(2~{R})-2-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{R},4~{S},5~{S})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-2-oxidanyl-2-phosphonooxy-ethyl]-2-oxidanyl-butanedioic acid
Formula:	C27 H45 N7 O26 P4 S
SMILES:	CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCS[C](O)(C[C](O)(CC(O)=O)C(O)=O)O[P](O)(O)=O
InChi:	InChI=1S/C27H45N7O26P4S/c1-25(2,19(39)22(40)30-4-3-14(35)29-5-6-65-27(44,59-62(48,49)50)9-26(43,24(41)42)7-15(36)37)10-56-64(53,54)60-63(51,52)55-8-13-18(58-61(45,46)47)17(38)23(57-13)34-12-33-16-20(28)31-11-32-21(16)34/h11-13,17-19,23,38-39,43-44H,3-10H2,1-2H3,(H,29,35)(H,30,40)(H,36,37)(H,41,42)(H,51,52)(H,53,54)(H2,28,31,32)(H2,45,46,47)(H2,48,49,50)/t13-,17+,18+,19+,23+,26-,27-/m1/s1
Definition date:	2019-11-04
Last modified:	2023-09-18
Release date:	2019-12-25
Identifier:	(2~{R})-2-[(2~{R})-2-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{R},4~{S},5~{S})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-2-oxidanyl-2-phosphonooxy-ethyl]-2-oxidanyl-butanedioic acid

F3O

F3O
Name:	3'-O-L-phenylalanyladenosine 5'-(dihydrogen phosphate)
Formula:	C19 H23 N6 O8 P
SMILES:	O=P(O)(O)OCC4OC(n2cnc1c(ncnc12)N)C(O)C4OC(=O)C(N)Cc3ccccc3
InChi:	InChI=1S/C19H23N6O8P/c20-11(6-10-4-2-1-3-5-10)19(27)33-15-12(7-31-34(28,29)30)32-18(14(15)26)25-9-24-13-16(21)22-8-23-17(13)25/h1-5,8-9,11-12,14-15,18,26H,6-7,20H2,(H2,21,22,23)(H2,28,29,30)/t11-,12+,14+,15+,18+/m0/s1
Definition date:	2014-07-01
Last modified:	2023-09-18
Release date:	2014-10-01
Identifier:	3'-O-L-phenylalanyladenosine 5'-(dihydrogen phosphate)

M88

M88
Name:	1-(8Z-hexadecenoyl)-sn-glycerol
Formula:	C19 H36 O4
SMILES:	CCCCCCCC=CCCCCCCC(=O)OC[CH](O)CO
InChi:	InChI=1S/C19H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h8-9,18,20-21H,2-7,10-17H2,1H3/b9-8-/t18-/m0/s1
Synonyms:	2,3-dihydroxypropyl (Z)-hexadec-8-enoate
Definition date:	2018-01-03
Last modified:	2023-09-16
Release date:	2021-02-03
Identifier:	[(2~{S})-2,3-bis(oxidanyl)propyl] (~{Z})-hexadec-8-enoate

Y7C

Y7C
Name:	3-chloro-N-(1-propyl-1H-tetrazol-5-yl)benzamide
Formula:	C11 H12 Cl N5 O
SMILES:	CCCn1nnnc1NC(=O)c1cccc(Cl)c1
InChi:	InChI=1S/C11H12ClN5O/c1-2-6-17-11(14-15-16-17)13-10(18)8-4-3-5-9(12)7-8/h3-5,7H,2,6H2,1H3,(H,13,14,16,18)
Definition date:	2023-01-09
Last modified:	2023-09-15
Release date:	2023-09-20
Identifier:	3-chloro-N-(1-propyl-1H-tetrazol-5-yl)benzamide

ZI9

ZI9
Name:	3-[(6-ethynyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-bis(fluoranyl)benzamide
Formula:	C16 H9 F2 N3 O2 S
SMILES:	NC(=O)c1c(F)ccc(OCc2sc3ncc(cc3n2)C#C)c1F
InChi:	InChI=1S/C16H9F2N3O2S/c1-2-8-5-10-16(20-6-8)24-12(21-10)7-23-11-4-3-9(17)13(14(11)18)15(19)22/h1,3-6H,7H2,(H2,19,22)
Definition date:	2023-01-05
Last modified:	2023-09-15
Release date:	2023-09-20
Identifier:	3-[(6-ethynyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-bis(fluoranyl)benzamide

V8R

V8R
Name:	(5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-2-[2-(3-phenoxyphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
Formula:	C22 H22 N2 O6
SMILES:	O[CH]1[CH](O)[CH](n2cc(CCc3cccc(Oc4ccccc4)c3)nc2[CH]1O)C(O)=O
InChi:	InChI=1S/C22H22N2O6/c25-18-17(22(28)29)24-12-14(23-21(24)20(27)19(18)26)10-9-13-5-4-8-16(11-13)30-15-6-2-1-3-7-15/h1-8,11-12,17-20,25-27H,9-10H2,(H,28,29)/t17-,18+,19-,20+/m0/s1
Definition date:	2023-07-10
Last modified:	2023-09-15
Release date:	2023-09-20
Identifier:	(5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-2-[2-(3-phenoxyphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid

ZLE

ZLE
Name:	~{N}-[3-(2-azanylpyridin-4-yl)phenyl]propanamide
Formula:	C14 H15 N3 O
SMILES:	CCC(=O)Nc1cccc(c1)c2ccnc(N)c2
InChi:	InChI=1S/C14H15N3O/c1-2-14(18)17-12-5-3-4-10(8-12)11-6-7-16-13(15)9-11/h3-9H,2H2,1H3,(H2,15,16)(H,17,18)
Definition date:	2023-06-28
Last modified:	2023-09-15
Release date:	2023-09-20
Identifier:	~{N}-[3-(2-azanylpyridin-4-yl)phenyl]propanamide

YNL

YNL
Name:	(5M)-1-(2-aminoethyl)-7-chloro-5-(2-fluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one
Formula:	C17 H15 Cl F N3 O
SMILES:	Fc1ccccc1C1=NCC(=O)N(CCN)c2ccc(Cl)cc21
InChi:	InChI=1S/C17H15ClFN3O/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)19)21-10-16(23)22(15)8-7-20/h1-6,9H,7-8,10,20H2
Definition date:	2023-02-13
Last modified:	2023-09-15
Release date:	2023-09-20
Identifier:	(5M)-1-(2-aminoethyl)-7-chloro-5-(2-fluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one

ZR2

ZR2
Name:	6-O-[(2R,3R)-3-hydroxy-20-{(1R,2S)-2-[(17R,18R)-17-methoxy-18-methyldotriacontyl]cyclopropyl}-2-pentadecylicosanoyl]-alpha-L-galactopyranose
Formula:	C78 H152 O9
SMILES:	OC1C(O)C(COC(=O)C(CCCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCC2CC2CCCCCCCCCCCCCCCCC(OC)C(C)CCCCCCCCCCCCCC)OC(O)C1O
InChi:	InChI=1S/C78H152O9/c1-5-7-9-11-13-15-17-24-32-38-44-50-56-62-70(77(83)86-66-73-74(80)75(81)76(82)78(84)87-73)71(79)63-57-51-45-39-33-27-21-19-20-25-30-36-42-48-54-60-68-65-69(68)61-55-49-43-37-31-26-22-23-28-34-40-46-52-58-64-72(85-4)67(3)59-53-47-41-35-29-18-16-14-12-10-8-6-2/h67-76,78-82,84H,5-66H2,1-4H3/t67-,68-,69+,70-,71-,72-,73+,74-,75-,76+,78-/m1/s1
Definition date:	2023-03-22
Last modified:	2023-09-15
Release date:	2023-09-20
Identifier:	6-O-[(2R,3R)-3-hydroxy-20-{(1R,2S)-2-[(17R,18R)-17-methoxy-18-methyldotriacontyl]cyclopropyl}-2-pentadecylicosanoyl]-alpha-L-galactopyranose

HWL

HWL
Name:	Flavoxate
Formula:	C24 H25 N O4
SMILES:	CC1=C(Oc2c(cccc2C1=O)C(=O)OCCN3CCCCC3)c4ccccc4
InChi:	InChI=1S/C24H25NO4/c1-17-21(26)19-11-8-12-20(23(19)29-22(17)18-9-4-2-5-10-18)24(27)28-16-15-25-13-6-3-7-14-25/h2,4-5,8-12H,3,6-7,13-16H2,1H3
Synonyms:	2-piperidin-1-ylethyl 3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxylate
Definition date:	2021-02-19
Last modified:	2023-09-15
Release date:	2023-02-15
Identifier:	2-piperidin-1-ylethyl 3-methyl-4-oxidanylidene-2-phenyl-chromene-8-carboxylate

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