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CU9

CU9
Name:	6,6',7',12'-tetramethoxy-2,2,2',2'-tetramethyltubocuraran-2,2'-diium
Formula:	C40 H48 N2 O6
SMILES:	O(c7ccc5cc7Oc1cc2c(cc1OC)CC[N+](C2Cc6ccc(Oc3c4c(cc(OC)c3OC)CC[N+](C)(C)C4C5)cc6)(C)C)C
InChi:	InChI=1S/C40H48N2O6/c1-41(2)17-15-27-22-34(44-6)36-24-30(27)31(41)19-25-9-12-29(13-10-25)47-40-38-28(23-37(45-7)39(40)46-8)16-18-42(3,4)32(38)20-26-11-14-33(43-5)35(21-26)48-36/h9-14,21-24,31-32H,15-20H2,1-8H3/q+2/t31-,32+/m0/s1
Synonyms:	metocurine
Definition date:	2010-10-29
Last modified:	2020-06-17
Identifier:	6,6',7',12'-tetramethoxy-2,2,2',2'-tetramethyltubocuraran-2,2'-diium

CUE

CUE
Name:	Coumestrol
Formula:	C15 H8 O5
SMILES:	O=C3Oc4cc(O)ccc4c2oc1c(ccc(O)c1)c23
InChi:	InChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H
Synonyms:	3,9-dihydroxy-6H-[1]benzofuro[3,2-c]chromen-6-one
Definition date:	2009-09-29
Last modified:	2020-06-17
Identifier:	3,9-dihydroxy-6H-[1]benzofuro[3,2-c]chromen-6-one

CUO

CUO
Name:	CU2-O2 CLUSTER
Formula:	Cu2 O2
SMILES:	O1[Cu]O[Cu]1
InChi:	InChI=1S/2Cu.2O
Synonyms:	CU-O2-CU LINKAGE
Definition date:	2001-08-17
Last modified:	2020-06-17
Identifier:	1,3-dioxa-2$l^{2},4$l^{2}-dicupracyclobutane

CUV

CUV
Name:	Fe(4)-Ni(1)-S(4) cluster, oxidized
Formula:	Fe4 Ni S4
SMILES:	[Ni].[Fe]S[Fe]1S[Fe]S[Fe]S1
InChi:	InChI=1S/4Fe.Ni.4S
Synonyms:	C cluster, oxidized
Definition date:	2017-10-03
Last modified:	2020-06-17
Release date:	2018-10-03
Identifier:	1$l^{3},3,5-trithia-2$l^{3},4$l^{3},6$l^{2}-triferrabicyclo[2.2.0]hexan-2-ylsulfanyl(nickelio)iron

CV1

CV1
Name:	(2R,3R,4S,5R,13R,14S,15R,16R)-24-amino-18-bromo-3,4,14,15-tetrahydroxy-7,9,11,25,26-pentaoxa-17,19,22-triaza-1-azonia-8 ,10-diphosphapentacyclo[18.3.1.1^2,5^.1^13,16^.0^17,21^]hexacosa-1(24),18,20,22-tetraene-8,10-diolate 8,10-dioxide
Formula:	C15 H21 Br N5 O13 P2
SMILES:	Brc2nc1c(N)[n+]4cnc1n2C3OC(C(O)C3O)COP(=O)(OP(=O)(O)OCC5OC4C(O)C5O)O
InChi:	InChI=1S/C15H20BrN5O13P2/c16-15-19-6-11(17)20-3-18-12(6)21(15)14-10(25)8(23)5(33-14)2-31-36(28,29)34-35(26,27)30-1-4-7(22)9(24)13(20)32-4/h3-5,7-10,13-14,17,22-25H,1-2H2,(H2,26,27,28,29)/p-1/t4-,5-,7-,8-,9-,10-,13-,14-/m1/s1
Synonyms:	8-BROMO-CYCLIC-ADP-RIBOSE
Definition date:	2011-09-07
Last modified:	2020-06-17
Identifier:	(2R,3R,4S,5R,8R,10R,13R,14S,15R,16R)-24-amino-18-bromo-3,4,8,10,14,15-hexahydroxy-7,9,11,25,26-pentaoxa-17,19,22-triaza-1-azonia-8,10-diphosphapentacyclo[18.3.1.1~2,5~.1~13,16~.0~17,21~]hexacosa-1(24),18,20,22-tetraene 8,10-dioxide (non-preferred name)

CVU

CVU
Name:	L-Fuculose open form
Formula:	C6 H12 O5
SMILES:	O=C(C(O)C(O)C(O)C)CO
InChi:	InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h3,5-8,10-11H,2H2,1H3/t3-,5+,6-/m0/s1
Synonyms:	6-deoxy-L-tagatose
Definition date:	2013-08-16
Last modified:	2020-06-17
Release date:	2013-12-11
Identifier:	6-deoxy-L-tagatose

CWH

CWH
Name:	[(2~{S},5~{R},8~{S},11~{S})-1-[(2~{R},3~{R},5~{R},6~{S})-3,5-dimethyl-6-oxidanyl-4-oxidanylidene-oxan-2-yl]-5,11-dimeth yl-8-oxidanyl-13-[[(2~{S})-2-oxidanylpropanoyl]amino]tridecan-2-yl] ethanoate
Formula:	C27 H49 N O8
SMILES:	C[CH](CCNC(=O)[CH](C)O)CC[CH](O)CC[CH](C)CC[CH](C[CH]1O[CH](O)[CH](C)C(=O)[CH]1C)OC(C)=O
InChi:	InChI=1S/C27H49NO8/c1-16(7-10-22(31)11-8-17(2)13-14-28-26(33)20(5)29)9-12-23(35-21(6)30)15-24-18(3)25(32)19(4)27(34)36-24/h16-20,22-24,27,29,31,34H,7-15H2,1-6H3,(H,28,33)/t16-,17+,18-,19+,20+,22+,23+,24-,27+/m1/s1
Synonyms:	LC-KA05
Definition date:	2017-12-11
Last modified:	2020-06-17
Release date:	2018-09-19
Identifier:	[(2~{S},5~{R},8~{S},11~{S})-1-[(2~{R},3~{R},5~{R},6~{S})-3,5-dimethyl-6-oxidanyl-4-oxidanylidene-oxan-2-yl]-5,11-dimethyl-8-oxidanyl-13-[[(2~{S})-2-oxidanylpropanoyl]amino]tridecan-2-yl] ethanoate

CX7

CX7
Name:	Cotylenol
Formula:	C21 H34 O4
SMILES:	O(C)CC3(O)C2=CC1(C(=C(CC1)C(C)C)C(O)C(O)C(C2CC3)C)C
InChi:	InChI=1S/C21H34O4/c1-12(2)14-6-8-20(4)10-16-15(7-9-21(16,24)11-25-5)13(3)18(22)19(23)17(14)20/h10,12-13,15,18-19,22-24H,6-9,11H2,1-5H3/b16-10+/t13-,15+,18-,19-,20-,21+/m1/s1
Synonyms:	(1R,3aS,4R,5R,6R,9aR,10E)-1-(methoxymethyl)-4,9a-dimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,6,8,9,9a-decahydrodicyclopenta[a ,d][8]annulene-1,5,6-triol
Definition date:	2011-07-06
Last modified:	2020-06-17
Release date:	2016-05-04
Identifier:	(1R,3aS,4R,5R,6R,9aR,10E)-1-(methoxymethyl)-4,9a-dimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,6,8,9,9a-decahydrodicyclopenta[a,d][8]annulene-1,5,6-triol

CX9

CX9
Name:	3,7-DIMETHYL-1-[3-(3-METHYL-2,6-DIOXO-9H-PURIN-1-YL)PROPYL]PURINE-2,6-DIONE
Formula:	C16 H18 N8 O4
SMILES:	Cn1cnc2N(C)C(=O)N(CCCN3C(=O)N(C)c4[nH]cnc4C3=O)C(=O)c12
InChi:	InChI=1S/C16H18N8O4/c1-20-8-19-12-10(20)14(26)24(16(28)22(12)3)6-4-5-23-13(25)9-11(18-7-17-9)21(2)15(23)27/h7-8H,4-6H2,1-3H3,(H,17,18)
Synonyms:	BISDIONIN F
Definition date:	2011-03-10
Last modified:	2020-06-17
Identifier:	3,7-dimethyl-1-[3-(3-methyl-2,6-dioxo-9H-purin-1-yl)propyl]purine-2,6-dione

CXN

CXN
Name:	CLOXACILLIN
Formula:	C19 H18 Cl N3 O5 S
SMILES:	O=C(O)C3N4C(=O)C(NC(=O)c2c(onc2c1ccccc1Cl)C)C4SC3(C)C
InChi:	InChI=1S/C19H18ClN3O5S/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27)/t13-,14+,17-/m1/s1
Synonyms:	[3-(O-CHLOROPHENYL)-5-METHYL-4-ISOXAZOLYL]PENICILLIN
Definition date:	2000-08-10
Last modified:	2020-06-17
Identifier:	(2S,5R,6R)-6-({[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

CXR

CXR
Name:	CYCLIC ADENOSINE DIPHOSPHATE-RIBOSE
Formula:	C15 H21 N5 O13 P2
SMILES:	O=P4(OCC5OC(n1c2N=CN(C(=[N@H])c2nc1)C3OC(C(O)C3O)COP(=O)(O)O4)C(O)C5O)O
InChi:	InChI=1S/C15H21N5O13P2/c16-12-7-13-18-4-19(12)14-10(23)8(21)5(31-14)1-29-34(25,26)33-35(27,28)30-2-6-9(22)11(24)15(32-6)20(13)3-17-7/h3-6,8-11,14-16,21-24H,1-2H2,(H,25,26)(H,27,28)/b16-12+/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1
Synonyms:	CYCLIC ADP-RIBOSE
Definition date:	2005-10-05
Last modified:	2020-06-17
Identifier:	(2R,3R,4S,5R,8S,10R,13R,14S,15R,16R,24E)-24-imino-7,9,11,25,26-pentaoxa-1,17,19,22-tetraaza-8,10-diphosphapentacyclo[18.3.1.1~2,5~.1~13,16~.0~17,21~]hexacosa-18,20,22-triene-3,4,8,10,14,15-hexol 8,10-dioxide (non-preferred name)

CXX

CXX
Name:	3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE
Formula:	C19 H23 Cl N2
SMILES:	Clc1ccc3c(c1)N(c2ccccc2CC3)CCCN(C)C
InChi:	InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3
Synonyms:	3-chloro-5-(3-(dimethylamino)propyl)-10,11-dihydro-5H-dibenz[b,f]azepine
Definition date:	2007-06-07
Last modified:	2020-06-17
Identifier:	3-(3-chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethylpropan-1-amine

CYT

CYT
Name:	6-AMINOPYRIMIDIN-2(1H)-ONE
Formula:	C4 H5 N3 O
SMILES:	O=C1N=CC=C(N)N1
InChi:	InChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)
Synonyms:	CYTOSINE
Definition date:	2007-01-29
Last modified:	2020-06-17
Identifier:	6-aminopyrimidin-2(1H)-one

CZB

CZB
Name:	(2S,8R)-8-BENZYL-2-(4-BROMOBENZYL)-2-HYDROPEROXY-6-(4-HYDROXYPHENYL)-7,8-DIHYDROIMIDAZO[1,2-A]PYRAZIN-3(2H)-ONE
Formula:	C26 H22 Br N3 O4
SMILES:	Brc1ccc(cc1)CC5(OO)N=C2N(C=C(NC2Cc3ccccc3)c4ccc(O)cc4)C5=O
InChi:	InChI=1S/C26H22BrN3O4/c27-20-10-6-18(7-11-20)15-26(34-33)25(32)30-16-23(19-8-12-21(31)13-9-19)28-22(24(30)29-26)14-17-4-2-1-3-5-17/h1-13,16,22,28,31,33H,14-15H2/t22-,26-/m0/s1
Synonyms:	BR-COELENETERAZINE
Definition date:	2003-07-07
Last modified:	2020-06-17
Identifier:	(2S,8S)-8-benzyl-2-(4-bromobenzyl)-2-hydroperoxy-6-(4-hydroxyphenyl)-7,8-dihydroimidazo[1,2-a]pyrazin-3(2H)-one

CZH

CZH
Name:	C2-HYDROPEROXY-COELENTERAZINE
Formula:	C26 H21 N3 O5
SMILES:	O=C1N3C=C(N=C(C3=NC1(OO)Cc2ccc(O)cc2)Cc4ccccc4)c5ccc(O)cc5
InChi:	InChI=1S/C26H21N3O5/c30-20-10-6-18(7-11-20)15-26(34-33)25(32)29-16-23(19-8-12-21(31)13-9-19)27-22(24(29)28-26)14-17-4-2-1-3-5-17/h1-13,16,30-31,33H,14-15H2/t26-/m0/s1
Synonyms:	8-BENZYL-2-HYDROPEROXY-2-(4-HYDROXY-BENZYL)-6-(4-HYDROXY-PHENYL)-2H-IMIDAZO[1,2-A]PYRAZIN-3-ONE
Definition date:	2000-03-07
Last modified:	2020-06-17
Identifier:	(2S)-8-benzyl-2-hydroperoxy-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3(2H)-one

CZJ

CZJ
Name:	(3s,5s,7s)-N-{7-[(3-O-carbamoyl-6-deoxy-5-methyl-4-O-methyl-beta-D-gulopyranosyl)oxy]-4-hydroxy-8-methyl-2-oxo-2H-1-ben zopyran-3-yl}tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
Formula:	C30 H38 N2 O10
SMILES:	c6c(OC1C(C(C(C(C)(C)O1)OC)OC(=O)N)O)c(c2c(C(=C(C(O2)=O)NC(C35CC4CC(C3)CC(C4)C5)=O)O)c6)C
InChi:	InChI=1S/C30H38N2O10/c1-13-18(39-26-21(34)23(41-28(31)37)24(38-4)29(2,3)42-26)6-5-17-20(33)19(25(35)40-22(13)17)32-27(36)30-10-14-7-15(11-30)9-16(8-14)12-30/h5-6,14-16,21,23-24,26,33-34H,7-12H2,1-4H3,(H2,31,37)(H,32,36)/t14-,15+,16-,21-,23+,24-,26-,30-/m1/s1
Synonyms:	novobiocin derivative
Definition date:	2017-10-09
Last modified:	2020-06-17
Release date:	2017-12-06
Identifier:	(3s,5s,7s)-N-{7-[(3-O-carbamoyl-6-deoxy-5-methyl-4-O-methyl-beta-D-gulopyranosyl)oxy]-4-hydroxy-8-methyl-2-oxo-2H-1-benzopyran-3-yl}tricyclo[3.3.1.1~3,7~]decane-1-carboxamide

CZP

CZP
Name:	(8R)-8-(CYCLOPENTYLMETHYL)-2-HYDROPEROXY-2-(4-HYDROXYBENZYL)-6-(4-HYDROXYPHENYL)-7,8-DIHYDROIMIDAZO[1,2-A]PYRAZIN-3(2H) -ONE
Formula:	C25 H27 N3 O5
SMILES:	O=C1N3C=C(NC(C3=NC1(OO)Cc2ccc(O)cc2)CC4CCCC4)c5ccc(O)cc5
InChi:	InChI=1S/C25H27N3O5/c29-19-9-5-17(6-10-19)14-25(33-32)24(31)28-15-22(18-7-11-20(30)12-8-18)26-21(23(28)27-25)13-16-3-1-2-4-16/h5-12,15-16,21,26,29-30,32H,1-4,13-14H2/t21-,25-/m0/s1
Synonyms:	CP-COELENETERAZINE
Definition date:	2003-07-07
Last modified:	2020-06-17
Identifier:	(2S,8S)-8-(cyclopentylmethyl)-2-hydroperoxy-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)-7,8-dihydroimidazo[1,2-a]pyrazin-3(2H)-one

D01

D01
Name:	2-({4-[(5-CHLORO-1H-INDOL-2-YL)SULFONYL]PIPERAZIN-1-YL}CARBONYL)THIENO[3,2-B]PYRIDINE 4-OXIDE
Formula:	C20 H17 Cl N4 O4 S2
SMILES:	Clc1cc2cc(nc2cc1)S(=O)(=O)N5CCN(C(=O)c4sc3ccc[n+]([O-])c3c4)CC5
InChi:	InChI=1S/C20H17ClN4O4S2/c21-14-3-4-15-13(10-14)11-19(22-15)31(28,29)24-8-6-23(7-9-24)20(26)18-12-16-17(30-18)2-1-5-25(16)27/h1-5,10-12,22H,6-9H2
Synonyms:	2-[[4-[(5-CHLOROINDOL-2-YL)SULFONYL]PIPERAZIN-1-YL] CARBONYL]THIENO[3,2-B]PYRIDINE N-OXIDE
Definition date:	2005-08-26
Last modified:	2020-06-17
Identifier:	2-({4-[(5-chloro-1H-indol-2-yl)sulfonyl]piperazin-1-yl}carbonyl)thieno[3,2-b]pyridine 4-oxide

D16

D16
Name:	TOMUDEX
Formula:	C21 H22 N4 O6 S
SMILES:	O=C(c3sc(N(C)Cc2ccc1NC(=NC(=O)c1c2)C)cc3)NC(C(=O)O)CCC(=O)O
InChi:	InChI=1S/C21H22N4O6S/c1-11-22-14-4-3-12(9-13(14)19(28)23-11)10-25(2)17-7-6-16(32-17)20(29)24-15(21(30)31)5-8-18(26)27/h3-4,6-7,9,15H,5,8,10H2,1-2H3,(H,24,29)(H,26,27)(H,30,31)(H,22,23,28)/t15-/m0/s1
Synonyms:	ZD1694
Definition date:	1999-07-08
Last modified:	2020-06-17
Identifier:	N-[(5-{methyl[(2-methyl-4-oxo-1,4-dihydroquinazolin-6-yl)methyl]amino}thiophen-2-yl)carbonyl]-L-glutamic acid

D18

D18
Name:	2,5-BIS{[4-(N-ISOPROPYL)DIAMINOMETHYL]PHENYL}FURAN
Formula:	C24 H32 N4 O
SMILES:	o1c(ccc1c2ccc(cc2)C(N)NC(C)C)c3ccc(cc3)C(N)NC(C)C
InChi:	InChI=1S/C24H32N4O/c1-15(2)27-23(25)19-9-5-17(6-10-19)21-13-14-22(29-21)18-7-11-20(12-8-18)24(26)28-16(3)4/h5-16,23-24,27-28H,25-26H2,1-4H3/t23-,24+
Synonyms:	FURAMIDINE DERIVATIVE
Definition date:	1999-07-08
Last modified:	2020-06-17
Identifier:	(S,R)-(furan-2,5-diyldibenzene-4,1-diyl)bis[N-(1-methylethyl)methanediamine]

D1H

D1H
Name:	1,1'-ETHANE-1,2-DIYLBIS(3,7-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE)
Formula:	C16 H18 N8 O4
SMILES:	O=C2c1n(cnc1N(C(=O)N2CCN4C(=O)N(c3ncn(c3C4=O)C)C)C)C
InChi:	InChI=1S/C16H18N8O4/c1-19-7-17-11-9(19)13(25)23(15(27)21(11)3)5-6-24-14(26)10-12(18-8-20(10)2)22(4)16(24)28/h7-8H,5-6H2,1-4H3
Synonyms:	1-(2-(THEOBROMINE-1-YL)ETHYL)-BROMINE
Definition date:	2006-06-08
Last modified:	2020-06-17
Identifier:	1,1'-ethane-1,2-diylbis(3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione)

D1N

D1N
Name:	NAPHTHALENE-1,2-DIOL
Formula:	C10 H8 O2
SMILES:	Oc1c2c(ccc1O)cccc2
InChi:	InChI=1S/C10H8O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6,11-12H
Synonyms:	1,2-DIHYDROXYNAPHTHALENE
Definition date:	2007-03-15
Last modified:	2020-06-17
Identifier:	naphthalene-1,2-diol

D22

D22
Name:	N-octyloctan-1-amine
Formula:	C16 H35 N
SMILES:	N(CCCCCCCC)CCCCCCCC
InChi:	InChI=1S/C16H35N/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h17H,3-16H2,1-2H3
Synonyms:	Dioctylamine
Definition date:	2009-05-14
Last modified:	2020-06-17
Identifier:	N-octyloctan-1-amine

D2A

D2A
Name:	2-(4'-AMIDINOBIPHENYL-4-YL)-1H-BENZIMIDAZOLE-5-AMIDINE
Formula:	C21 H18 N6
SMILES:	[N@H]=C(N)c1ccc(cc1)c4ccc(c3nc2ccc(cc2n3)C(=[N@H])N)cc4
InChi:	InChI=1S/C21H18N6/c22-19(23)14-5-1-12(2-6-14)13-3-7-15(8-4-13)21-26-17-10-9-16(20(24)25)11-18(17)27-21/h1-11H,(H3,22,23)(H3,24,25)(H,26,27)
Synonyms:	DB921
Definition date:	2005-09-16
Last modified:	2020-06-17
Identifier:	2-(4'-carbamimidoylbiphenyl-4-yl)-1H-benzimidazole-6-carboximidamide

D2S

D2S
Name:	4,4'-disulfanediyldibenzene-1,3-diol
Formula:	C12 H10 O4 S2
SMILES:	S(Sc1ccc(O)cc1O)c2ccc(O)cc2O
InChi:	InChI=1S/C12H10O4S2/c13-7-1-3-11(9(15)5-7)17-18-12-4-2-8(14)6-10(12)16/h1-6,13-16H
Synonyms:	4-(2,4-dihydroxyphenyl)disulfanylbenzene-1,3-diol
Definition date:	2009-08-24
Last modified:	2020-06-17
Identifier:	4,4'-disulfanediyldibenzene-1,3-diol

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數據於2025-12-03公開中

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