Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C12H17N2O2S.Na |
| Molecular Weight | 276.33 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].CCCC(C)C1(CC=C)C(=O)NC(=S)[N-]C1=O
InChI
InChIKey=LYZGJWXNOGIVQA-UHFFFAOYSA-M
InChI=1S/C12H18N2O2S.Na/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16;/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17);/q;+1/p-1
| Molecular Formula | Na |
| Molecular Weight | 22.9898 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C12H18N2O2S |
| Molecular Weight | 254.349 |
| 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
Fri Dec 15 16:20:56 UTC 2023
by
admin
on
Fri Dec 15 16:20:56 UTC 2023
|
| Record UNII |
T4L2P3KH7K
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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| Classification Tree | Code System | Code | ||
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DEA NO. |
2100
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CFR |
21 CFR 522.2424
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NCI_THESAURUS |
C67084
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NCI_THESAURUS |
C245
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100000077013
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203201
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759558
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337-47-3
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CHEMBL440
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m10724
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DTXSID3045988
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T4L2P3KH7K
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206-415-5
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23677058
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DBSALT001404
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SUB15531MIG
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C66597
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| Related Record | Type | Details | ||
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ACTIVE MOIETY |
