Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C9H13NO2.C9H9N3O2S2 |
| Molecular Weight | 422.522 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CNC[C@H](O)C1=CC=CC(O)=C1.NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3
InChI
InChIKey=JOQHXYSRVMHSMA-NPULLEENSA-N
InChI=1S/C9H9N3O2S2.C9H13NO2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9;1-10-6-9(12)7-3-2-4-8(11)5-7/h1-6H,10H2,(H,11,12);2-5,9-12H,6H2,1H3/t;9-/m.0/s1
| Molecular Formula | C9H13NO2 |
| Molecular Weight | 167.205 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C9H9N3O2S2 |
| Molecular Weight | 255.317 |
| 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
Mon Mar 31 17:55:53 GMT 2025
by
admin
on
Mon Mar 31 17:55:53 GMT 2025
|
| Record UNII |
88S59N1LC7
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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Common Name | English | ||
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Preferred Name | English | ||
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| Code System | Code | Type | Description | ||
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88S59N1LC7
Created by
admin on Mon Mar 31 17:55:53 GMT 2025 , Edited by admin on Mon Mar 31 17:55:53 GMT 2025
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PRIMARY | |||
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7645-09-2
Created by
admin on Mon Mar 31 17:55:53 GMT 2025 , Edited by admin on Mon Mar 31 17:55:53 GMT 2025
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PRIMARY | |||
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119026102
Created by
admin on Mon Mar 31 17:55:53 GMT 2025 , Edited by admin on Mon Mar 31 17:55:53 GMT 2025
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PRIMARY | |||
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DTXSID20274766
Created by
admin on Mon Mar 31 17:55:53 GMT 2025 , Edited by admin on Mon Mar 31 17:55:53 GMT 2025
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PRIMARY |
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|---|---|---|---|---|
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
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ACTIVE MOIETY | |||
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ACTIVE MOIETY |