Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C16H16ClNO2S |
| Molecular Weight | 321.822 |
| Optical Activity | ( + ) |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC(=O)[C@@H](N1CCC2=C(C1)SC=C2)C3=C(Cl)C=CC=C3
InChI
InChIKey=ZEIGZKQSYIWMTR-HNNXBMFYSA-N
InChI=1S/C16H16ClNO2S/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/t15-/m0/s1
| Molecular Formula | C16H16ClNO2S |
| Molecular Weight | 321.822 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 18:57:55 UTC 2023
by
admin
on
Sat Dec 16 18:57:55 UTC 2023
|
| Record UNII |
4C9Q9E5VKM
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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49849329
Created by
admin on Sat Dec 16 18:57:56 UTC 2023 , Edited by admin on Sat Dec 16 18:57:56 UTC 2023
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1396841-05-6
Created by
admin on Sat Dec 16 18:57:56 UTC 2023 , Edited by admin on Sat Dec 16 18:57:56 UTC 2023
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4C9Q9E5VKM
Created by
admin on Sat Dec 16 18:57:56 UTC 2023 , Edited by admin on Sat Dec 16 18:57:56 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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SALT/SOLVATE -> PARENT |
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![Structure of Methyl (αS)-α-(2-chlorophenyl)-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-acetate hydrochloride](/img/798b4c62-ed51-4d41-9d2d-ce1d2abd0a07.svg "Structure of Methyl (αS)-α-(2-chlorophenyl)-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-acetate hydrochloride")
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> IMPURITY |
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PARENT -> IMPURITY |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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PARENT -> IMPURITY |
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