Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C17H16N2OS.H2O4S |
| Molecular Weight | 394.465 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OS(O)(=O)=O.O=C1CN=C(C2=C(N1)SC3=C2CCCC3)C4=CC=CC=C4
InChI
InChIKey=CPUPCLCGELTVIR-UHFFFAOYSA-N
InChI=1S/C17H16N2OS.H2O4S/c20-14-10-18-16(11-6-2-1-3-7-11)15-12-8-4-5-9-13(12)21-17(15)19-14;1-5(2,3)4/h1-3,6-7H,4-5,8-10H2,(H,19,20);(H2,1,2,3,4)
| Molecular Formula | H2O4S |
| Molecular Weight | 98.078 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C17H16N2OS |
| Molecular Weight | 296.387 |
| 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 17:51:12 GMT 2025
by
admin
on
Mon Mar 31 17:51:12 GMT 2025
|
| Record UNII |
NR8TJ255T3
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| Record Status |
Validated (UNII)
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| Record Version |
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Preferred Name | English | ||
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Code | English |
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52824-92-7
Created by
admin on Mon Mar 31 17:51:12 GMT 2025 , Edited by admin on Mon Mar 31 17:51:12 GMT 2025
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NR8TJ255T3
Created by
admin on Mon Mar 31 17:51:12 GMT 2025 , Edited by admin on Mon Mar 31 17:51:12 GMT 2025
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PRIMARY | |||
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135565298
Created by
admin on Mon Mar 31 17:51:12 GMT 2025 , Edited by admin on Mon Mar 31 17:51:12 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |