Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C12H11ClN6O2S2.C7H17NO5 |
| Molecular Weight | 566.051 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.NS(=O)(=O)C1=CC(C2=NN=NN2)=C(NCC3=CC=CS3)C=C1Cl
InChI
InChIKey=XGQBEWHTQQFMLC-WZTVWXICSA-N
InChI=1S/C12H11ClN6O2S2.C7H17NO5/c13-9-5-10(15-6-7-2-1-3-22-7)8(12-16-18-19-17-12)4-11(9)23(14,20)21;1-8-2-4(10)6(12)7(13)5(11)3-9/h1-5,15H,6H2,(H2,14,20,21)(H,16,17,18,19);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1
| Molecular Formula | C7H17NO5 |
| Molecular Weight | 195.2136 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C12H11ClN6O2S2 |
| Molecular Weight | 370.838 |
| Charge | 0 |
| 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
Sat Dec 16 19:12:28 UTC 2023
by
admin
on
Sat Dec 16 19:12:28 UTC 2023
|
| Record UNII |
N57QQA8EKV
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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| Code System | Code | Type | Description | ||
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164888939
Created by
admin on Sat Dec 16 19:12:28 UTC 2023 , Edited by admin on Sat Dec 16 19:12:28 UTC 2023
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PRIMARY | |||
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154927-33-0
Created by
admin on Sat Dec 16 19:12:28 UTC 2023 , Edited by admin on Sat Dec 16 19:12:28 UTC 2023
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PRIMARY | |||
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N57QQA8EKV
Created by
admin on Sat Dec 16 19:12:28 UTC 2023 , Edited by admin on Sat Dec 16 19:12:28 UTC 2023
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PRIMARY |
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PARENT -> SALT/SOLVATE |
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ACTIVE MOIETY |
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