Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C11H15N3S.C4H4O4 |
| Molecular Weight | 337.394 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.CN1CCC=C2C1CCC3=C2N=C(N)S3
InChI
InChIKey=YPUJEBWDQOIQEM-BTJKTKAUSA-N
InChI=1S/C11H15N3S.C4H4O4/c1-14-6-2-3-7-8(14)4-5-9-10(7)13-11(12)15-9;5-3(6)1-2-4(7)8/h3,8H,2,4-6H2,1H3,(H2,12,13);1-2H,(H,5,6)(H,7,8)/b;2-1-
| Molecular Formula | C4H4O4 |
| Molecular Weight | 116.0722 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
| Molecular Formula | C11H15N3S |
| Molecular Weight | 221.322 |
| Charge | 0 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Tue Apr 01 19:53:14 GMT 2025
by
admin
on
Tue Apr 01 19:53:14 GMT 2025
|
| Record UNII |
3T2X2YPQ4E
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
Download
| Name | Type | Language | ||
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Common Name | English | ||
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Preferred Name | English |
| Code System | Code | Type | Description | ||
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3T2X2YPQ4E
Created by
admin on Tue Apr 01 19:53:14 GMT 2025 , Edited by admin on Tue Apr 01 19:53:14 GMT 2025
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PRIMARY | |||
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9840755
Created by
admin on Tue Apr 01 19:53:14 GMT 2025 , Edited by admin on Tue Apr 01 19:53:14 GMT 2025
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ENANTIOMER -> RACEMATE | |||
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ENANTIOMER -> RACEMATE | |||
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PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |