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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H16ClNO2S.ClH
Molecular Weight 346.272
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL (2S)-2-(2-CHLOROPHENYL)-2-((2-(THIOPHEN-2-YL)ETHYL)AMINO)ACETATE HYDROCHLORIDE

SMILES

Cl.COC(=O)[C@@H](NCCC1=CC=CS1)C2=C(Cl)C=CC=C2

InChI

InChIKey=ZXANKCFSGFEBQW-UQKRIMTDSA-N
InChI=1S/C15H16ClNO2S.ClH/c1-19-15(18)14(12-6-2-3-7-13(12)16)17-9-8-11-5-4-10-20-11;/h2-7,10,14,17H,8-9H2,1H3;1H/t14-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C15H16ClNO2S
Molecular Weight 309.811
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

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 Sat Dec 16 15:30:15 UTC 2023
Edited
by admin
on Sat Dec 16 15:30:15 UTC 2023
Record UNII
DL9FFG0V0C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL (2S)-2-(2-CHLOROPHENYL)-2-((2-(THIOPHEN-2-YL)ETHYL)AMINO)ACETATE HYDROCHLORIDE
Systematic Name English
BENZENEACETIC ACID, 2-CHLORO-.ALPHA.-((2-(2-THIENYL)ETHYL)AMINO)-, METHYL ESTER, HYDROCHLORIDE, (S)-
Systematic Name English
(+)-METHYL-(2-CHLOROPHENYL)-(2-THIOPHEN-2YL-ETHYLAMINO) ACETATE HYDROCHLORIDE
Systematic Name English
(S)-METHYL 2-(2-CHLOROPHENYL)-2-((2-(THIOPHEN-2-YL)ETHYL)AMINO)ACETATE HYDROCHLORIDE
Systematic Name English
BENZENEACETIC ACID, 2-CHLORO-.ALPHA.-((2-(2-THIENYL)ETHYL)AMINO)-, METHYL ESTER, HYDROCHLORIDE (1:1), (.ALPHA.S)-
Systematic Name English
Code System Code Type Description
CAS
141109-19-5
Created by admin on Sat Dec 16 15:30:16 UTC 2023 , Edited by admin on Sat Dec 16 15:30:16 UTC 2023
PRIMARY
RS_ITEM_NUM
1A01700
Created by admin on Sat Dec 16 15:30:16 UTC 2023 , Edited by admin on Sat Dec 16 15:30:16 UTC 2023
PRIMARY
PUBCHEM
23635839
Created by admin on Sat Dec 16 15:30:16 UTC 2023 , Edited by admin on Sat Dec 16 15:30:16 UTC 2023
PRIMARY
FDA UNII
DL9FFG0V0C
Created by admin on Sat Dec 16 15:30:16 UTC 2023 , Edited by admin on Sat Dec 16 15:30:16 UTC 2023
PRIMARY
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