Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C35H35ClNO3S.Na |
| Molecular Weight | 608.165 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].CC(C)(O)C1=C(CC[C@@H](SCC2(CC([O-])=O)CC2)C3=CC(\C=C\C4=NC5=CC(Cl)=CC=C5C=C4)=CC=C3)C=CC=C1
InChI
InChIKey=LBFBRXGCXUHRJY-HKHDRNBDSA-M
InChI=1S/C35H36ClNO3S.Na/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29;/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39);/q;+1/p-1/b15-10+;/t32-;/m1./s1
Approval Year
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| Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C29712
Created by
admin on Fri Dec 15 15:53:53 UTC 2023 , Edited by admin on Fri Dec 15 15:53:53 UTC 2023
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SUB03324MIG
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23663996
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DBSALT001043
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115713
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CHEMBL787
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151767-02-1
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GG-39
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C47625
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U1O3J18SFL
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100000091459
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759107
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6993
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U1O3J18SFL
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DTXSID8046450
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1446859
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m7616
Created by
admin on Fri Dec 15 15:53:53 UTC 2023 , Edited by admin on Fri Dec 15 15:53:53 UTC 2023
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PRIMARY | Merck Index |
ACTIVE MOIETY
SUBSTANCE RECORD
