Details
Stereochemistry | ABSOLUTE |
Molecular Formula | 2C16H17N2O4S.Ca |
Molecular Weight | 706.842 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 6 / 6 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Ca++].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)CC3=CC=CC=C3)C([O-])=O.[H][C@]45SC(C)(C)[C@@H](N4C(=O)[C@H]5NC(=O)CC6=CC=CC=C6)C([O-])=O
InChI
InChIKey=PEWXRXAGXPYMIB-ANPZCEIESA-L
InChI=1S/2C16H18N2O4S.Ca/c2*1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;/h2*3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);/q;;+2/p-2/t2*11-,12+,14-;/m11./s1
Molecular Formula | C16H17N2O4S |
Molecular Weight | 333.382 |
Charge | -1 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | Ca |
Molecular Weight | 40.078 |
Charge | 2 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:44:36 UTC 2023
by
admin
on
Fri Dec 15 15:44:36 UTC 2023
|
Record UNII |
Z1GL5S1Z1Z
|
Record Status |
Validated (UNII)
|
Record Version |
|
-
Download
Name | Type | Language | ||
---|---|---|---|---|
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English |
Code System | Code | Type | Description | ||
---|---|---|---|---|---|
|
Z1GL5S1Z1Z
Created by
admin on Fri Dec 15 15:44:36 UTC 2023 , Edited by admin on Fri Dec 15 15:44:36 UTC 2023
|
PRIMARY | |||
|
20055520
Created by
admin on Fri Dec 15 15:44:36 UTC 2023 , Edited by admin on Fri Dec 15 15:44:36 UTC 2023
|
PRIMARY | |||
|
DBSALT002767
Created by
admin on Fri Dec 15 15:44:36 UTC 2023 , Edited by admin on Fri Dec 15 15:44:36 UTC 2023
|
PRIMARY | |||
|
SUB13035MIG
Created by
admin on Fri Dec 15 15:44:36 UTC 2023 , Edited by admin on Fri Dec 15 15:44:36 UTC 2023
|
PRIMARY | |||
|
100000077183
Created by
admin on Fri Dec 15 15:44:36 UTC 2023 , Edited by admin on Fri Dec 15 15:44:36 UTC 2023
|
PRIMARY | |||
|
m384
Created by
admin on Fri Dec 15 15:44:36 UTC 2023 , Edited by admin on Fri Dec 15 15:44:36 UTC 2023
|
PRIMARY | Merck Index | ||
|
973-53-5
Created by
admin on Fri Dec 15 15:44:36 UTC 2023 , Edited by admin on Fri Dec 15 15:44:36 UTC 2023
|
PRIMARY | |||
|
CHEMBL29
Created by
admin on Fri Dec 15 15:44:36 UTC 2023 , Edited by admin on Fri Dec 15 15:44:36 UTC 2023
|
PRIMARY |
Related Record | Type | Details | ||
---|---|---|---|---|
|
PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
---|---|---|---|---|
|
ACTIVE MOIETY |