Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C23H16O6.2C22H29N3O6S |
| Molecular Weight | 1315.464 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 8 / 8 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)C1=CC2=C(C=CC=C2)C(CC3=C4C=CC=CC4=CC(C(O)=O)=C3O)=C1O.[H][C@]56SC(C)(C)[C@@H](N5C(=O)[C@H]6NC(=O)[C@H](N)C7=CC=CC=C7)C(=O)OCOC(=O)C(C)(C)C.[H][C@]89SC(C)(C)[C@@H](N8C(=O)[C@H]9NC(=O)[C@H](N)C%10=CC=CC=C%10)C(=O)OCOC(=O)C(C)(C)C
InChI
InChIKey=RYPIBFIQHKWKBM-WDPVPZODSA-N
InChI=1S/C23H16O6.2C22H29N3O6S/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;2*1-21(2,3)20(29)31-11-30-19(28)15-22(4,5)32-18-14(17(27)25(15)18)24-16(26)13(23)12-9-7-6-8-10-12/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2*6-10,13-15,18H,11,23H2,1-5H3,(H,24,26)/t;2*13-,14-,15+,18-/m.11/s1
Approval Year
| Name | Type | Language | ||
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Official Name | English | ||
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Common Name | English |
| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
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NCI_THESAURUS |
C1500
Created by
admin on Fri Dec 15 16:24:14 UTC 2023 , Edited by admin on Fri Dec 15 16:24:14 UTC 2023
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| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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39030-72-3
Created by
admin on Fri Dec 15 16:24:14 UTC 2023 , Edited by admin on Fri Dec 15 16:24:14 UTC 2023
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PRIMARY | |||
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5Z5TRG74EY
Created by
admin on Fri Dec 15 16:24:14 UTC 2023 , Edited by admin on Fri Dec 15 16:24:14 UTC 2023
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PRIMARY | |||
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20055543
Created by
admin on Fri Dec 15 16:24:14 UTC 2023 , Edited by admin on Fri Dec 15 16:24:14 UTC 2023
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PRIMARY | |||
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CHEMBL323354
Created by
admin on Fri Dec 15 16:24:14 UTC 2023 , Edited by admin on Fri Dec 15 16:24:14 UTC 2023
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PRIMARY | |||
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C73835
Created by
admin on Fri Dec 15 16:24:14 UTC 2023 , Edited by admin on Fri Dec 15 16:24:14 UTC 2023
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PRIMARY |
ACTIVE MOIETY
PARENT (SALT/SOLVATE)
PARENT (SALT/SOLVATE)
SUBSTANCE RECORD