Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | 2C7H13NO3S.Ca |
| Molecular Weight | 422.574 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 2 |
SHOW SMILES / InChI
SMILES
[Ca++].CSCC[C@H](NC(C)=O)C(O)=O.CSCC[C@H](NC(C)=O)C(O)=O
InChI
InChIKey=RSLXYULLPVSFOZ-UAIGZDOSSA-N
InChI=1S/2C7H13NO3S.Ca/c2*1-5(9)8-6(7(10)11)3-4-12-2;/h2*6H,3-4H2,1-2H3,(H,8,9)(H,10,11);/q;;+2/t2*6-;/m00./s1
| 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 |
| Molecular Formula | C7H12NO3S |
| Molecular Weight | 190.24 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 23:32:25 GMT 2025
by
admin
on
Mon Mar 31 23:32:25 GMT 2025
|
| Record UNII |
VKK65T8A9U
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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79266-75-4
Created by
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92135772
Created by
admin on Mon Mar 31 23:32:25 GMT 2025 , Edited by admin on Mon Mar 31 23:32:25 GMT 2025
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VKK65T8A9U
Created by
admin on Mon Mar 31 23:32:25 GMT 2025 , Edited by admin on Mon Mar 31 23:32:25 GMT 2025
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
