Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C19H21ClN2S.C4H4O4 |
| Molecular Weight | 460.974 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(Cl)C=C4
InChI
InChIKey=GWKBZIADWSOIQV-BTJKTKAUSA-N
InChI=1S/C19H21ClN2S.C4H4O4/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19;5-3(6)1-2-4(7)8/h2-7,13,17H,8-12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
| Molecular Formula | C19H21ClN2S |
| Molecular Weight | 344.901 |
| Charge | 0 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
| 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 |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 20:14:01 GMT 2025
by
admin
on
Mon Mar 31 20:14:01 GMT 2025
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| Record UNII |
M5Z1H0WN1S
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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| Code System | Code | Type | Description | ||
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26791-18-4
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NON-SPECIFIC STEREOCHEMISTRY | |||
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M5Z1H0WN1S
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4789-68-8
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11957654
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SUB01372MIG
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100000087976
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admin on Mon Mar 31 20:14:01 GMT 2025 , Edited by admin on Mon Mar 31 20:14:01 GMT 2025
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DTXSID6045791
Created by
admin on Mon Mar 31 20:14:01 GMT 2025 , Edited by admin on Mon Mar 31 20:14:01 GMT 2025
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |