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.[H][C@]12[C@@H](CC[C@@]1(CC[C@]3(C)[C@]2([H])CC[C@]4([H])[C@@]5(C)CC=C(C6=CC=C(C=C6)C(O)=O)C(C)(C)[C@]5([H])CC[C@@]34C)NCCN7CCS(=O)(=O)CC7)C(C)=C
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 | 8 / 9 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 14:15:07 GMT 2023
by
admin
on
Sat Dec 16 14:15:07 GMT 2023
|
| Record UNII |
VF90GZ0UQI
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
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Code | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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134819859
Created by
admin on Sat Dec 16 14:15:07 GMT 2023 , Edited by admin on Sat Dec 16 14:15:07 GMT 2023
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PRIMARY | |||
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VF90GZ0UQI
Created by
admin on Sat Dec 16 14:15:07 GMT 2023 , Edited by admin on Sat Dec 16 14:15:07 GMT 2023
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PRIMARY | |||
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2023798-97-0
Created by
admin on Sat Dec 16 14:15:07 GMT 2023 , Edited by admin on Sat Dec 16 14:15:07 GMT 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> SALT/SOLVATE | |||
|
ANHYDROUS->SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |