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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

Molecular Formula C22H29NOS
Molecular Weight 355.537
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

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:36:49 GMT 2023
Edited
by admin
on Sat Dec 16 10:36:49 GMT 2023
Record UNII
9C1673620A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
XENTHIORATE HYDROCHLORIDE
Common Name English
W-1816
Code 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 Sat Dec 16 10:36:50 GMT 2023 , Edited by admin on Sat Dec 16 10:36:50 GMT 2023
PRIMARY
PUBCHEM
117068974
Created by admin on Sat Dec 16 10:36:50 GMT 2023 , Edited by admin on Sat Dec 16 10:36:50 GMT 2023
PRIMARY
CAS
7320-74-3
Created by admin on Sat Dec 16 10:36:50 GMT 2023 , Edited by admin on Sat Dec 16 10:36:50 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
PARENT -> SALT/SOLVATE
ENANTIOMER -> RACEMATE
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ACTIVE MOIETY