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]([S@+]([O-])CC2(CC(O)=O)CC2)C3=CC=CC(\C=C\C4=NC5=CC(Cl)=CC=C5C=C4)=C3
InChI
InChIKey=QFTNWCBEAVHLQA-XNHCCDLUSA-N
InChI=1S/C35H36ClNO4S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(42(41)23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39)/b15-10+/t32-,42?/m1/s1
| Molecular Formula | C35H36ClNO4S |
| Molecular Weight | 602.183 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 1 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 09:59:19 UTC 2023
by
admin
on
Sat Dec 16 09:59:19 UTC 2023
|
| Record UNII |
PND36Y6B5I
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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15297728
Created by
admin on Sat Dec 16 09:59:20 UTC 2023 , Edited by admin on Sat Dec 16 09:59:20 UTC 2023
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1152185-58-4
Created by
admin on Sat Dec 16 09:59:20 UTC 2023 , Edited by admin on Sat Dec 16 09:59:20 UTC 2023
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PRIMARY | |||
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PND36Y6B5I
Created by
admin on Sat Dec 16 09:59:20 UTC 2023 , Edited by admin on Sat Dec 16 09:59:20 UTC 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 |
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
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