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Details

Stereochemistry ACHIRAL
Molecular Formula C18H18ClNS
Molecular Weight 315.86
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3-(4-Chloro-9H-thioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine, (Z)-

SMILES

CN(C)CC\C=C1\C2=CC=CC=C2SC3=C(Cl)C=CC=C13

InChI

InChIKey=HUBYXTWCOFFORO-LCYFTJDESA-N
InChI=1S/C18H18ClNS/c1-20(2)12-6-9-13-14-7-3-4-11-17(14)21-18-15(13)8-5-10-16(18)19/h3-5,7-11H,6,12H2,1-2H3/b13-9-

HIDE SMILES / InChI

Molecular Formula C18H18ClNS
Molecular Weight 315.86
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:36:00 GMT 2023
Edited
by admin
on Sat Dec 16 19:36:00 GMT 2023
Record UNII
6JU8ES9RWT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(4-Chloro-9H-thioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine, (Z)-
Systematic Name English
Chlorprothixene Hydrochloride Impurity D [Ep Impurity]
Common Name English
(3Z)-3-(4-Chloro-9H-thioxanthen-9-ylidene)-N,N-dimethyl-1-propanamine
Systematic Name English
1-Propanamine, 3-(4-chloro-9H-thioxanthen-9-ylidene)-N,N-dimethyl-
Systematic Name English
(3Z)-3-(4-chloro-9H-thioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine
Systematic Name English
3-(4-Chloro-9H-thioxanthen-9-ylidene)-N,N-dimethyl-1-propanamine
Systematic Name English
Code System Code Type Description
PUBCHEM
101698208
Created by admin on Sat Dec 16 19:36:00 GMT 2023 , Edited by admin on Sat Dec 16 19:36:00 GMT 2023
PRIMARY
CAS
109470-67-9
Created by admin on Sat Dec 16 19:36:00 GMT 2023 , Edited by admin on Sat Dec 16 19:36:00 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
CAS
1082649-26-0
Created by admin on Sat Dec 16 19:36:00 GMT 2023 , Edited by admin on Sat Dec 16 19:36:00 GMT 2023
PRIMARY
FDA UNII
6JU8ES9RWT
Created by admin on Sat Dec 16 19:36:00 GMT 2023 , Edited by admin on Sat Dec 16 19:36:00 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY