Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C21H21N2O5S.Na |
| Molecular Weight | 436.457 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[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=AYAPZOUDXCDGIF-FRFVDRIFSA-M
InChI=1S/C21H22N2O5S.Na/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);/q;+1/p-1/t15-,16+,19-;/m1./s1
Approval Year
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| Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C1500
Created by
admin on Fri Dec 15 15:14:21 UTC 2023 , Edited by admin on Fri Dec 15 15:14:21 UTC 2023
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213-574-4
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m7706
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C76224
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985-16-0
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100000085707
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7448
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23667630
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DTXSID00904716
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SY07234TTS
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ACTIVE MOIETY
SUBSTANCE RECORD
