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TAP

TAP
Name:	7-THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Formula:	C21 H28 N7 O16 P3 S
SMILES:	NC(=S)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
InChi:	InChI=1S/C21H28N7O16P3S/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(43-45(32,33)34)14(30)11(42-21)6-40-47(37,38)44-46(35,36)39-5-10-13(29)15(31)20(41-10)27-3-1-2-9(4-27)18(23)48/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,48)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
Synonyms:	TATP
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(3-carbamothioylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphate

941

941
Name:	2-(4-{2-TERT-BUTOXYCARBONYLAMINO-2-[4-(3-HYDROXY-2-METHOXYCARBONYL-PHENOXY)-BUTYLCARBAMOYL]-ETHYL}-PHENOXY)-MALONIC ACID
Formula:	C29 H36 N2 O12
SMILES:	O=C(O)C(Oc1ccc(cc1)CC(NC(=O)OC(C)(C)C)C(=O)NCCCCOc2cccc(O)c2C(=O)OC)C(=O)O
InChi:	InChI=1S/C29H36N2O12/c1-29(2,3)43-28(39)31-19(16-17-10-12-18(13-11-17)42-23(25(34)35)26(36)37)24(33)30-14-5-6-15-41-21-9-7-8-20(32)22(21)27(38)40-4/h7-13,19,23,32H,5-6,14-16H2,1-4H3,(H,30,33)(H,31,39)(H,34,35)(H,36,37)/t19-/m0/s1
Synonyms:	COMPOUND 15
Definition date:	2003-07-22
Last modified:	2021-03-01
Identifier:	{4-[(2S)-2-[(tert-butoxycarbonyl)amino]-3-({4-[3-hydroxy-2-(methoxycarbonyl)phenoxy]butyl}amino)-3-oxopropyl]phenoxy}propanedioic acid

TAX

TAX
Name:	(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-PHENOXY]-N,N-DIMETHYLETHANAMINIUM
Formula:	C26 H30 N O
SMILES:	O(c1ccc(cc1)C(c2ccccc2)=C(c3ccccc3)CC)CC[NH+](C)C
InChi:	InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/p+1/b26-25+
Synonyms:	CIS FORM OF TAMOXIFEN
Definition date:	2000-08-14
Last modified:	2021-03-01
Identifier:	2-{4-[(1E)-1,2-diphenylbut-1-en-1-yl]phenoxy}-N,N-dimethylethanaminium

TAY

TAY
Name:	2,2-dimethylpropanamide
Formula:	C5 H11 N O
SMILES:	CC(C)(C)C(N)=O
InChi:	InChI=1S/C5H11NO/c1-5(2,3)4(6)7/h1-3H3,(H2,6,7)
Synonyms:	Trimethylacetamide
Definition date:	2009-10-07
Last modified:	2021-03-01
Identifier:	2,2-dimethylpropanamide

949

949
Name:	4-[3-(3-fluorophenyl)-5,5-dimethyl-4-oxidanylidene-furan-2-yl]benzenesulfonamide
Formula:	C18 H16 F N O4 S
SMILES:	CC1(C)OC(=C(C1=O)c2cccc(F)c2)c3ccc(cc3)[S](N)(=O)=O
InChi:	InChI=1S/C18H16FNO4S/c1-18(2)17(21)15(12-4-3-5-13(19)10-12)16(24-18)11-6-8-14(9-7-11)25(20,22)23/h3-10H,1-2H3,(H2,20,22,23)
Synonyms:	Polmacoxib
Definition date:	2016-07-22
Last modified:	2021-03-01
Release date:	2017-05-24
Identifier:	4-[3-(3-fluorophenyl)-5,5-dimethyl-4-oxidanylidene-furan-2-yl]benzenesulfonamide

94Q

94Q
Name:	~{S}-[2-[3-[[(2~{S})-4-[[[(2~{R},3~{S},4~{R},5~{R})-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]ethyl] 9-(3-but-3-ynyl-1,2-diazirin-3-yl)nonanethioate
Formula:	C35 H56 N9 O17 P3 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)NCCSC(=O)CCCCCCCCC4(CCC#C)N=N4
InChi:	InChI=1S/C35H56N9O17P3S/c1-4-5-14-35(42-43-35)15-11-9-7-6-8-10-12-25(46)65-18-17-37-24(45)13-16-38-32(49)29(48)34(2,3)20-58-64(55,56)61-63(53,54)57-19-23-28(60-62(50,51)52)27(47)33(59-23)44-22-41-26-30(36)39-21-40-31(26)44/h1,21-23,27-29,33,47-48H,5-20H2,2-3H3,(H,37,45)(H,38,49)(H,53,54)(H,55,56)(H2,36,39,40)(H2,50,51,52)/t23-,27-,28-,29-,33-/m1/s1
Synonyms:	Myristoyl-CoA analogue X10
Definition date:	2017-04-18
Last modified:	2021-03-01
Release date:	2018-05-30
Identifier:	~{S}-[2-[3-[[(2~{S})-4-[[[(2~{R},3~{S},4~{R},5~{R})-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]ethyl] 9-(3-but-3-ynyl-1,2-diazirin-3-yl)nonanethioate

TBH

TBH
Name:	5-(2-{2-[(TERT-BUTOXY-HYDROXY-METHYL)-AMINO]-1-HYDROXY-3-PHENYL-PROPYLAMINO}-3-HYDROXY-3-PENTYLAMINO-PROPYL)-2-CARBOXYMETHOXY-BENZOIC ACID
Formula:	C31 H47 N3 O9
SMILES:	O=C(O)c1cc(ccc1OCC(=O)O)CC(NC(O)C(NC(O)OC(C)(C)C)Cc2ccccc2)C(O)NCCCCC
InChi:	InChI=1S/C31H47N3O9/c1-5-6-10-15-32-27(37)23(18-21-13-14-25(42-19-26(35)36)22(16-21)29(39)40)33-28(38)24(17-20-11-8-7-9-12-20)34-30(41)43-31(2,3)4/h7-9,11-14,16,23-24,27-28,30,32-34,37-38,41H,5-6,10,15,17-19H2,1-4H3,(H,35,36)(H,39,40)/t23-,24-,27+,28-,30-/m0/s1
Synonyms:	PNU177836
Definition date:	2001-06-26
Last modified:	2021-03-01
Identifier:	5-[(2S,3R)-2-{[(1S,2S)-2-{[(S)-tert-butoxy(hydroxy)methyl]amino}-1-hydroxy-3-phenylpropyl]amino}-3-hydroxy-3-(pentylamino)propyl]-2-(carboxymethoxy)benzoic acid

TBL

TBL
Name:	N-[(4-methoxyphenyl)sulfonyl]-D-alanine
Formula:	C10 H13 N O5 S
SMILES:	O=C(O)C(NS(=O)(=O)c1ccc(OC)cc1)C
InChi:	InChI=1S/C10H13NO5S/c1-7(10(12)13)11-17(14,15)9-5-3-8(16-2)4-6-9/h3-7,11H,1-2H3,(H,12,13)/t7-/m1/s1
Synonyms:	(R)-2-(4-methoxyphenylsulfonamido)propanoic acid
Definition date:	2008-09-18
Last modified:	2021-03-01
Identifier:	N-[(4-methoxyphenyl)sulfonyl]-D-alanine

950

950
Name:	2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-1H-BENZIMIDAZOL-2-YL}-6-ISOBUTOXYBENZENOLATE
Formula:	C18 H19 F N4 O2
SMILES:	[O-]c3c(OCC(C)C)cccc3c2nc1cc(c(F)cc1n2)C(=[NH2+])N
InChi:	InChI=1S/C18H19FN4O2/c1-9(2)8-25-15-5-3-4-10(16(15)24)18-22-13-6-11(17(20)21)12(19)7-14(13)23-18/h3-7,9,24H,8H2,1-2H3,(H3,20,21)(H,22,23)
Synonyms:	CRA_10950
Definition date:	2003-03-14
Last modified:	2021-03-01
Identifier:	2-{5-[amino(iminio)methyl]-6-fluoro-1H-benzimidazol-2-yl}-6-(2-methylpropoxy)phenolate

TBQ

TBQ
Name:	(3~{R})-1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol
Formula:	C16 H22 Cl N3 O
SMILES:	CC(C)(C)[C](O)(CCc1ccc(Cl)cc1)Cn2cncn2
InChi:	InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3/t16-/m0/s1
Synonyms:	(R)-tebuconazole
Definition date:	2015-10-20
Last modified:	2021-03-01
Release date:	2016-02-10
Identifier:	(3~{R})-1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol

TBR

TBR
Name:	HEXATANTALUM DODECABROMIDE
Formula:	Br12 Ta6
SMILES:	Br\|1[Ta]\|2\|3\|4\|5\|Br[Ta]\|6\|7\|89%10\|2\|Br[Ta]\|%11\|%12\|%13\|%14\|1\|3\|6Br\|[Ta]\|%15\|%16\|%17\|7\|%11(Br\|[Ta]\|%18\|4\|%12\|%15(Br\|%13)(Br\|%14)\|Br[Ta]\|5\|8\|%16\|%18(\|Br9)(Br)Br\|%17)\|Br%10
InChi:	InChI=1S/12BrH.6Ta/h12*1H
Synonyms:	DODECABROMOHEXATANTALUM
Definition date:	1999-11-12
Last modified:	2021-03-01

958

958
Name:	8-(dimethylamino)-1,3-dimethyl-7-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]purine-2,6-dione
Formula:	C19 H21 N7 O3
SMILES:	CN(C)c1nc2N(C)C(=O)N(C)C(=O)c2n1Cc3oc(nn3)c4cccc(C)c4
InChi:	InChI=1S/C19H21N7O3/c1-11-7-6-8-12(9-11)16-22-21-13(29-16)10-26-14-15(20-18(26)23(2)3)24(4)19(28)25(5)17(14)27/h6-9H,10H2,1-5H3
Synonyms:	TH5427
Definition date:	2017-04-21
Last modified:	2021-03-01
Release date:	2018-01-31
Identifier:	8-(dimethylamino)-1,3-dimethyl-7-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]purine-2,6-dione

TBY

TBY
Name:	tributylstannanyl
Formula:	C12 H27 Sn
SMILES:	[Sn](CCCC)(CCCC)CCCC
InChi:	InChI=1S/3C4H9.Sn.H/c3*1-3-4-2
Synonyms:	tributyltin
Definition date:	2008-09-05
Last modified:	2021-03-01
Identifier:	tributylstannane

TCE

TCE
Name:	3,3',3''-phosphanetriyltripropanoic acid
Formula:	C9 H15 O6 P
SMILES:	O=C(O)CCP(CCC(=O)O)CCC(=O)O
InChi:	InChI=1S/C9H15O6P/c10-7(11)1-4-16(5-2-8(12)13)6-3-9(14)15/h1-6H2,(H,10,11)(H,12,13)(H,14,15)
Synonyms:	3-[bis(2-carboxyethyl)phosphanyl]propanoic acid
Definition date:	2009-01-12
Last modified:	2021-03-01
Identifier:	3,3',3''-phosphanetriyltripropanoic acid

TCF

TCF
Name:	3-(4-BROMOPHENYL)PROPANAMIDE
Formula:	C9 H10 Br N O
SMILES:	Brc1ccc(cc1)CCC(=O)N
InChi:	InChI=1S/C9H10BrNO/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H2,11,12)
Synonyms:	PARA-BROMO-CIS-2-PHENYLCYCLOPROPYL-1-AMINE
Definition date:	2010-03-31
Last modified:	2021-03-01
Identifier:	3-(4-bromophenyl)propanamide

TCI

TCI
Name:	(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol
Formula:	C21 H30 O2
SMILES:	CCCCCc1cc(O)c2[CH]3C=C(C)CC[CH]3C(C)(C)Oc2c1
InChi:	InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1
Synonyms:	Tetrahydrocannabinol
Definition date:	2010-02-23
Last modified:	2021-03-01
Identifier:	(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]isochromen-1-ol

TCU

TCU
Name:	5-HEXYL-2-(2-METHYLPHENOXY)PHENOL
Formula:	C19 H24 O2
SMILES:	O(c1c(cccc1)C)c2ccc(cc2O)CCCCCC
InChi:	InChI=1S/C19H24O2/c1-3-4-5-6-10-16-12-13-19(17(20)14-16)21-18-11-8-7-9-15(18)2/h7-9,11-14,20H,3-6,10H2,1-2H3
Synonyms:	2-(O-TOLYLOXY)-5-HEXYLPHENOL
Definition date:	2010-01-10
Last modified:	2021-03-01
Identifier:	5-hexyl-2-(2-methylphenoxy)phenol

968

968
Name:	2-[(7-HYDROXY-NAPHTHALEN-1-YL)-OXALYL-AMINO]-BENZOIC ACID
Formula:	C19 H13 N O6
SMILES:	O=C(O)c1ccccc1N(c2c3c(ccc2)ccc(O)c3)C(=O)C(=O)O
InChi:	InChI=1S/C19H13NO6/c21-12-9-8-11-4-3-7-16(14(11)10-12)20(17(22)19(25)26)15-6-2-1-5-13(15)18(23)24/h1-10,21H,(H,23,24)(H,25,26)
Synonyms:	COMPOUND 8B
Definition date:	2003-03-17
Last modified:	2021-03-01
Identifier:	2-[(carboxycarbonyl)(7-hydroxynaphthalen-1-yl)amino]benzoic acid

TDK

TDK
Name:	3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-{(1S)-1-HYDROXY-1-[(R)-HYDROXY(METHOXY)PHOSPHORYL]ETHYL}-5-(2-{[(S)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM
Formula:	C15 H26 N4 O11 P3 S
SMILES:	O=P(O)(O)OP(=O)(O)OCCc1sc([n+](c1C)Cc2cnc(nc2N)C)C(O)(P(=O)(OC)O)C
InChi:	InChI=1S/C15H25N4O11P3S/c1-9-12(5-6-29-33(26,27)30-32(23,24)25)34-14(15(3,20)31(21,22)28-4)19(9)8-11-7-17-10(2)18-13(11)16/h7,20H,5-6,8H2,1-4H3,(H5-,16,17,18,21,22,23,24,25,26,27)/p+1/t15-/m0/s1
Synonyms:	2-PHOSPHONOLACTYLTHIAMIN DIPHOSPHATE
Definition date:	2005-12-01
Last modified:	2021-03-01
Identifier:	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(1S)-1-hydroxy-1-[(R)-hydroxy(methoxy)phosphoryl]ethyl}-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium

TDL

TDL
Name:	3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-CARBOXY-1-HYDROXYETHYL)-5-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM
Formula:	C15 H23 N4 O10 P2 S
SMILES:	O=P(O)(O)OP(=O)(O)OCCc1sc([n+](c1C)Cc2cnc(nc2N)C)C(O)(C(=O)O)C
InChi:	InChI=1S/C15H22N4O10P2S/c1-8-11(4-5-28-31(26,27)29-30(23,24)25)32-13(15(3,22)14(20)21)19(8)7-10-6-17-9(2)18-12(10)16/h6,22H,4-5,7H2,1-3H3,(H5-,16,17,18,20,21,23,24,25,26,27)/p+1/t15-/m1/s1
Synonyms:	2-LACTYLTHIAMIN DIPHOSPHATE
Definition date:	2005-12-01
Last modified:	2021-03-01
Identifier:	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-[(1S)-1-carboxy-1-hydroxyethyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium

974

974
Name:	1-[2-[5-[AMINO(IMINO)METHYL]-2-HYDROXYPHENOXY]-6-[3-(4,5-DIHYDRO-1-METHYL-1H-IMIDAZOL-2-YL)PHENOXY] PYRIDIN-4-YL]PIPERIDINE-3-CARBOXYLIC ACID
Formula:	C28 H27 F2 N6 O5
SMILES:	Fc4c(c(F)c(Oc1cc(C(=[N@H])N)ccc1O)[nH+]c4Oc3cc(c2nccn2C)ccc3)N5CC(C(=O)O)CCC5
InChi:	InChI=1S/C28H26F2N6O5/c1-35-11-9-33-25(35)16-4-2-6-18(12-16)40-26-21(29)23(36-10-3-5-17(14-36)28(38)39)22(30)27(34-26)41-20-13-15(24(31)32)7-8-19(20)37/h2,4,6-9,11-13,17,37H,3,5,10,14H2,1H3,(H3,31,32)(H,38,39)/p+1/t17-/m1/s1
Synonyms:	ZK-806974
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	2-(5-carbamimidoyl-2-hydroxyphenoxy)-4-[(3R)-3-carboxypiperidin-1-yl]-3,5-difluoro-6-[3-(1-methyl-1H-imidazol-2-yl)phenoxy]pyridinium

TDS

TDS
Name:	8-HYDROXY-5,7-DIMETHOXY-3-METHYL-2-TRIDECYL-4H-CHROMEN-4-ONE
Formula:	C25 H38 O5
SMILES:	O=C1c2c(OC(=C1C)CCCCCCCCCCCCC)c(O)c(OC)cc2OC
InChi:	InChI=1S/C25H38O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-19-18(2)23(26)22-20(28-3)17-21(29-4)24(27)25(22)30-19/h17,27H,5-16H2,1-4H3
Synonyms:	TRIDECYL-STIGMATELLIN
Definition date:	2003-10-02
Last modified:	2021-03-01
Identifier:	8-hydroxy-5,7-dimethoxy-3-methyl-2-tridecyl-4H-chromen-4-one

979

979
Name:	5,6-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-D]PYRIMIDIN-4-AMINE
Formula:	C24 H25 N5 O
SMILES:	n1c(c2c(nc1)oc(c2c3ccccc3)c4ccccc4)NCCN5CCNCC5
InChi:	InChI=1S/C24H25N5O/c1-3-7-18(8-4-1)20-21-23(26-13-16-29-14-11-25-12-15-29)27-17-28-24(21)30-22(20)19-9-5-2-6-10-19/h1-10,17,25H,11-16H2,(H,26,27,28)
Synonyms:	FURANOPYRIDIMIDINE 1
Definition date:	2007-01-12
Last modified:	2021-03-01
Identifier:	5,6-diphenyl-N-(2-piperazin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine

TDZ

TDZ
Name:	(5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-2,4-DIONE
Formula:	C24 H27 N O5 S
SMILES:	O=C1NC(=O)SC1Cc4ccc(OCC3(Oc2c(c(c(O)c(c2CC3)C)C)C)C)cc4
InChi:	InChI=1S/C24H27NO5S/c1-13-14(2)21-18(15(3)20(13)26)9-10-24(4,30-21)12-29-17-7-5-16(6-8-17)11-19-22(27)25-23(28)31-19/h5-8,19,26H,9-12H2,1-4H3,(H,25,27,28)/t19-,24-/m1/s1
Synonyms:	TROGLITAZONE
Definition date:	2007-07-20
Last modified:	2021-03-01
Identifier:	(5R)-5-(4-{[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-2-yl]methoxy}benzyl)-1,3-thiazolidine-2,4-dione

TE4

TE4
Name:	Tetracaine
Formula:	C15 H24 N2 O2
SMILES:	O=C(OCCN(C)C)c1ccc(NCCCC)cc1
InChi:	InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3
Synonyms:	2-(dimethylamino)ethyl 4-(butylamino)benzoate
Definition date:	2014-02-11
Last modified:	2021-03-01
Release date:	2014-11-19
Identifier:	2-(dimethylamino)ethyl 4-(butylamino)benzoate

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