Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | 2C5H8NO3S.Ca |
| Molecular Weight | 364.452 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Ca++].CC(=O)N[C@@H](CS)C([O-])=O.CC(=O)N[C@@H](CS)C([O-])=O
InChI
InChIKey=JTCRUDPZQHUMDE-SCGRZTRASA-L
InChI=1S/2C5H9NO3S.Ca/c2*1-3(7)6-4(2-10)5(8)9;/h2*4,10H,2H2,1H3,(H,6,7)(H,8,9);/q;;+2/p-2/t2*4-;/m00./s1
| Molecular Formula | C5H8NO3S |
| Molecular Weight | 162.187 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| 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 15:09:41 UTC 2023
by
admin
on
Fri Dec 15 15:09:41 UTC 2023
|
| Record UNII |
M25DRG18YK
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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76956197
Created by
admin on Fri Dec 15 15:09:41 UTC 2023 , Edited by admin on Fri Dec 15 15:09:41 UTC 2023
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7546-23-8
Created by
admin on Fri Dec 15 15:09:41 UTC 2023 , Edited by admin on Fri Dec 15 15:09:41 UTC 2023
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PRIMARY | |||
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M25DRG18YK
Created by
admin on Fri Dec 15 15:09:41 UTC 2023 , Edited by admin on Fri Dec 15 15:09:41 UTC 2023
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PRIMARY |
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|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |