Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C16H16ClNO2S.ClH |
| Molecular Weight | 358.283 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.COC(=O)C(N1CCC2=C(C1)SC=C2)C3=C(Cl)C=CC=C3
InChI
InChIKey=SYAKRIYLSOOCKW-UHFFFAOYSA-N
InChI=1S/C16H16ClNO2S.ClH/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-11-7-9-21-14(11)10-18;/h2-5,7,9,15H,6,8,10H2,1H3;1H
| Molecular Formula | C16H16ClNO2S |
| Molecular Weight | 321.822 |
| Charge | 0 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
| Molecular Formula | ClH |
| Molecular Weight | 36.461 |
| 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
Sat Dec 16 19:51:47 GMT 2023
by
admin
on
Sat Dec 16 19:51:47 GMT 2023
|
| Record UNII |
2J8BD7QSZ5
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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144750-52-7
Created by
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2J8BD7QSZ5
Created by
admin on Sat Dec 16 19:51:47 GMT 2023 , Edited by admin on Sat Dec 16 19:51:47 GMT 2023
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46781054
Created by
admin on Sat Dec 16 19:51:47 GMT 2023 , Edited by admin on Sat Dec 16 19:51:47 GMT 2023
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DTXSID80675775
Created by
admin on Sat Dec 16 19:51:47 GMT 2023 , Edited by admin on Sat Dec 16 19:51:47 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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![Structure of Methyl α-(2-chlorophenyl)-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-acetate](/img/23d26b02-9b93-4084-bd23-dbd44450b33f.svg "Structure of Methyl α-(2-chlorophenyl)-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-acetate")