Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | 2C6H13NO5.2Cl.2Na.H2O4S |
| Molecular Weight | 573.306 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 8 / 8 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[Na+].[Cl-].[Cl-].OS(O)(=O)=O.N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO.N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO
InChI
InChIKey=SNILGVJTEVNNRV-VQRMJQQYSA-L
InChI=1S/2C6H13NO5.2ClH.2Na.H2O4S/c2*7-3(1-8)5(11)6(12)4(10)2-9;;;;;1-5(2,3)4/h2*1,3-6,9-12H,2,7H2;2*1H;;;(H2,1,2,3,4)/q;;;;2*+1;/p-2/t2*3-,4+,5+,6+;;;;;/m00...../s1
| 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 | Na |
| Molecular Weight | 22.9898 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | O4S |
| Molecular Weight | 96.063 |
| Charge | -2 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C6H13NO5 |
| Molecular Weight | 179.1711 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 08:53:09 UTC 2023
by
admin
on
Sat Dec 16 08:53:09 UTC 2023
|
| Record UNII |
7RI65CXJ9S
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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| Code System | Code | Type | Description | ||
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CHEMBL2110916
Created by
admin on Sat Dec 16 08:53:09 UTC 2023 , Edited by admin on Sat Dec 16 08:53:09 UTC 2023
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SUB32539
Created by
admin on Sat Dec 16 08:53:09 UTC 2023 , Edited by admin on Sat Dec 16 08:53:09 UTC 2023
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7RI65CXJ9S
Created by
admin on Sat Dec 16 08:53:09 UTC 2023 , Edited by admin on Sat Dec 16 08:53:09 UTC 2023
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76965660
Created by
admin on Sat Dec 16 08:53:09 UTC 2023 , Edited by admin on Sat Dec 16 08:53:09 UTC 2023
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100000124405
Created by
admin on Sat Dec 16 08:53:09 UTC 2023 , Edited by admin on Sat Dec 16 08:53:09 UTC 2023
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1296149-13-7
Created by
admin on Sat Dec 16 08:53:09 UTC 2023 , Edited by admin on Sat Dec 16 08:53:09 UTC 2023
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PRIMARY |
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