Details
| Stereochemistry | EPIMERIC |
| Molecular Formula | C35H36ClNO4S |
| Molecular Weight | 602.183 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 2 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)(O)C1=CC=CC=C1CC[C@@H](SCC2(CC2)C(O)C(O)=O)C3=CC=CC(\C=C\C4=NC5=CC(Cl)=CC=C5C=C4)=C3
InChI
InChIKey=QFJAHHNMKTWTGZ-DZAPPIOQSA-N
InChI=1S/C35H36ClNO4S/c1-34(2,41)29-9-4-3-7-24(29)13-17-31(42-22-35(18-19-35)32(38)33(39)40)26-8-5-6-23(20-26)10-15-28-16-12-25-11-14-27(36)21-30(25)37-28/h3-12,14-16,20-21,31-32,38,41H,13,17-19,22H2,1-2H3,(H,39,40)/b15-10+/t31-,32?/m1/s1
| Molecular Formula | C35H36ClNO4S |
| Molecular Weight | 602.183 |
| Charge | 0 |
| Count |
|
| Stereochemistry | EPIMERIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 2 |
| E/Z Centers | 1 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 09:57:55 GMT 2023
by
admin
on
Sat Dec 16 09:57:55 GMT 2023
|
| Record UNII |
9N056L5XHB
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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| Code System | Code | Type | Description | ||
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70702423
Created by
admin on Sat Dec 16 09:57:55 GMT 2023 , Edited by admin on Sat Dec 16 09:57:55 GMT 2023
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PRIMARY | |||
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9N056L5XHB
Created by
admin on Sat Dec 16 09:57:55 GMT 2023 , Edited by admin on Sat Dec 16 09:57:55 GMT 2023
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PRIMARY | |||
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2045402-27-3
Created by
admin on Sat Dec 16 09:57:55 GMT 2023 , Edited by admin on Sat Dec 16 09:57:55 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE |
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> IMPURITY |
UNSPECIFIED
EP
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