Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C42H62N2O4S.ClH.H2O |
| Molecular Weight | 745.494 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 9 / 9 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.Cl.CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(C6=CC=C(C=C6)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)NCCN7CCS(=O)(=O)CC7
InChI
InChIKey=YBXZLRMEOIDFCT-JMNTVBGTSA-N
InChI=1S/C42H62N2O4S.ClH.H2O/c1-28(2)31-14-19-42(43-22-23-44-24-26-49(47,48)27-25-44)21-20-40(6)33(36(31)42)12-13-35-39(5)17-15-32(29-8-10-30(11-9-29)37(45)46)38(3,4)34(39)16-18-41(35,40)7;;/h8-11,15,31,33-36,43H,1,12-14,16-27H2,2-7H3,(H,45,46);1H;1H2/t31-,33+,34-,35+,36+,39-,40+,41+,42-;;/m0../s1
| Molecular Formula | H2O |
| Molecular Weight | 18.0153 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | ClH |
| Molecular Weight | 36.461 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C42H62N2O4S |
| Molecular Weight | 691.018 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 9 / 9 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Tue Apr 01 22:44:18 GMT 2025
by
admin
on
Tue Apr 01 22:44:18 GMT 2025
|
| Record UNII |
VF90GZ0UQI
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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Preferred Name | English | ||
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Code | English |
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134819859
Created by
admin on Tue Apr 01 22:44:18 GMT 2025 , Edited by admin on Tue Apr 01 22:44:18 GMT 2025
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PRIMARY | |||
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VF90GZ0UQI
Created by
admin on Tue Apr 01 22:44:18 GMT 2025 , Edited by admin on Tue Apr 01 22:44:18 GMT 2025
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PRIMARY | |||
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2023798-97-0
Created by
admin on Tue Apr 01 22:44:18 GMT 2025 , Edited by admin on Tue Apr 01 22:44:18 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> SALT/SOLVATE | |||
|
ANHYDROUS->SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |