Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | 2C12H20N4O9S.2CH4O.H2O |
| Molecular Weight | 874.846 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.CO.CO.CO[C@@]1(CN(C1=O)S(O)(=O)=O)NC(=O)[C@@H](C)NC(=O)CC[C@@H](N)C(O)=O.CO[C@@]2(CN(C2=O)S(O)(=O)=O)NC(=O)[C@@H](C)NC(=O)CC[C@@H](N)C(O)=O
InChI
InChIKey=RGVCDPFRXCPAQM-MLOXJOOESA-N
InChI=1S/2C12H20N4O9S.2CH4O.H2O/c2*1-6(14-8(17)4-3-7(13)10(19)20)9(18)15-12(25-2)5-16(11(12)21)26(22,23)24;2*1-2;/h2*6-7H,3-5,13H2,1-2H3,(H,14,17)(H,15,18)(H,19,20)(H,22,23,24);2*2H,1H3;1H2/t2*6-,7-,12-;;;/m11.../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 | CH4O |
| Molecular Weight | 32.0419 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C12H20N4O9S |
| Molecular Weight | 396.374 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 01:23:15 GMT 2023
by
admin
on
Sat Dec 16 01:23:15 GMT 2023
|
| Record UNII |
J4I43H3WNF
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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Common Name | English |
| Code System | Code | Type | Description | ||
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J4I43H3WNF
Created by
admin on Sat Dec 16 01:23:15 GMT 2023 , Edited by admin on Sat Dec 16 01:23:15 GMT 2023
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PRIMARY | |||
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90479170
Created by
admin on Sat Dec 16 01:23:15 GMT 2023 , Edited by admin on Sat Dec 16 01:23:15 GMT 2023
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PRIMARY |
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|---|---|---|---|---|
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PARENT -> SALT/SOLVATE | |||
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ANHYDROUS->SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |