Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C26H34O5S.C2H8N2.H2O |
| Molecular Weight | 536.724 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.NCCN.O[C@H]([C@H](SCCC(O)=O)C1=C(CCCCCCCCC2=CC=CC=C2)C=CC=C1)C(O)=O
InChI
InChIKey=DIUCVZXIHDZZBV-LBDKHHEASA-N
InChI=1S/C26H34O5S.C2H8N2.H2O/c27-23(28)18-19-32-25(24(29)26(30)31)22-17-11-10-16-21(22)15-9-4-2-1-3-6-12-20-13-7-5-8-14-20;3-1-2-4;/h5,7-8,10-11,13-14,16-17,24-25,29H,1-4,6,9,12,15,18-19H2,(H,27,28)(H,30,31);1-4H2;1H2/t24-,25-;;/m1../s1
Approval Year
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NCI_THESAURUS |
C29712
Created by
admin on Fri Dec 15 17:52:23 UTC 2023 , Edited by admin on Fri Dec 15 17:52:23 UTC 2023
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| Code System | Code | Type | Description | ||
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C052393
Created by
admin on Fri Dec 15 17:52:23 UTC 2023 , Edited by admin on Fri Dec 15 17:52:23 UTC 2023
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PRIMARY | |||
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11954279
Created by
admin on Fri Dec 15 17:52:23 UTC 2023 , Edited by admin on Fri Dec 15 17:52:23 UTC 2023
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PRIMARY | |||
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DTXSID80929745
Created by
admin on Fri Dec 15 17:52:23 UTC 2023 , Edited by admin on Fri Dec 15 17:52:23 UTC 2023
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8270528Z3Y
Created by
admin on Fri Dec 15 17:52:23 UTC 2023 , Edited by admin on Fri Dec 15 17:52:23 UTC 2023
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PRIMARY | |||
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CC-41
Created by
admin on Fri Dec 15 17:52:23 UTC 2023 , Edited by admin on Fri Dec 15 17:52:23 UTC 2023
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PRIMARY | |||
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137232-03-2
Created by
admin on Fri Dec 15 17:52:23 UTC 2023 , Edited by admin on Fri Dec 15 17:52:23 UTC 2023
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PRIMARY | |||
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C96711
Created by
admin on Fri Dec 15 17:52:23 UTC 2023 , Edited by admin on Fri Dec 15 17:52:23 UTC 2023
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PRIMARY | |||
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CHEMBL22776
Created by
admin on Fri Dec 15 17:52:23 UTC 2023 , Edited by admin on Fri Dec 15 17:52:23 UTC 2023
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PRIMARY |
ACTIVE MOIETY
PARENT (SALT/SOLVATE)
SUBSTANCE RECORD