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Details

Stereochemistry RACEMIC
Molecular Formula C22H29NOS.ClH
Molecular Weight 391.998
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of XENTHIORATE HYDROCHLORIDE

SMILES

Cl.CCC(C(=O)SCCN(CC)CC)C1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChIKey=DMDLAKHJLZVWFB-UHFFFAOYSA-N
InChI=1S/C22H29NOS.ClH/c1-4-21(22(24)25-17-16-23(5-2)6-3)20-14-12-19(13-15-20)18-10-8-7-9-11-18;/h7-15,21H,4-6,16-17H2,1-3H3;1H

HIDE SMILES / InChI
Name Type Language
XENTHIORATE HYDROCHLORIDE
Common Name English
W-1816
Preferred Name English
BUTYRIC ACID, 2-(4-BIPHENYLYL)THIO-, S-(2-(DIETHYLAMINO)ETHYL) ESTER, HYDROCHLORIDE
Systematic Name English
(1,1'-BIPHENYL)-4-ETHANETHIOIC ACID, .ALPHA.-ETHYL-, S-(2-(DIETHYLAMINO)ETHYL) ESTER, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
9C1673620A
Created by admin on Mon Mar 31 23:21:14 GMT 2025 , Edited by admin on Mon Mar 31 23:21:14 GMT 2025
PRIMARY
PUBCHEM
117068974
Created by admin on Mon Mar 31 23:21:14 GMT 2025 , Edited by admin on Mon Mar 31 23:21:14 GMT 2025
PRIMARY
CAS
7320-74-3
Created by admin on Mon Mar 31 23:21:14 GMT 2025 , Edited by admin on Mon Mar 31 23:21:14 GMT 2025
PRIMARY