Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C21H21N2O5S.Na.H2O |
| Molecular Weight | 454.472 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.[Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C3=C(OCC)C=CC4=CC=CC=C34)C([O-])=O
InChI
InChIKey=OCXSDHJRMYFTMA-KMFBOIRUSA-M
InChI=1S/C21H22N2O5S.Na.H2O/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23;;/h5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27);;1H2/q;+1;/p-1/t15-,16+,19-;;/m1../s1
Approval Year
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NCI_THESAURUS |
C260
Created by
admin on Fri Dec 15 15:02:00 UTC 2023 , Edited by admin on Fri Dec 15 15:02:00 UTC 2023
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300000031152
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1450007
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7177-50-6
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DBSALT000497
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757108
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7448
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C29281
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DTXSID7045570
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49G3001BCK
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49G3001BCK
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SUB03375MIG
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23704143
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485026
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9893
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CHEMBL1443
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m7706
Created by
admin on Fri Dec 15 15:02:00 UTC 2023 , Edited by admin on Fri Dec 15 15:02:00 UTC 2023
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PRIMARY | Merck Index |
ACTIVE MOIETY
SUBSTANCE RECORD