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Details

Stereochemistry ACHIRAL
Molecular Formula C18H22ClN4S
Molecular Weight 361.912
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of N-Chloromethyl Olanzapine ion

SMILES

CC1=CC2=C(NC3=CC=CC=C3N=C2N4CC[N+](C)(CCl)CC4)S1

InChI

InChIKey=FQYHAAZWAYLVAQ-UHFFFAOYSA-N
InChI=1S/C18H22ClN4S/c1-13-11-14-17(22-7-9-23(2,12-19)10-8-22)20-15-5-3-4-6-16(15)21-18(14)24-13/h3-6,11,21H,7-10,12H2,1-2H3/q+1

HIDE SMILES / InChI

Molecular Formula C18H22ClN4S
Molecular Weight 361.912
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 10:29:16 GMT 2025
Edited
by admin
on Wed Apr 02 10:29:16 GMT 2025
Record UNII
82HK4YW7YE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-Chloromethyl Olanzapine ion
Common Name English
Chloromethyl Olanzapinium
Preferred Name English
1-(Chloromethyl)-1-methyl-4-(2-methyl-10H-thieno(2,3-b)(1,5)benzodiazepin-4-yl)piperazinium
Systematic Name English
Piperazinium, 1-(chloromethyl)-1-methyl-4-(2-methyl-10H-thieno(2,3-b)(1,5)benzodiazepin-4-yl)-
Systematic Name English
Code System Code Type Description
CAS
735264-27-4
Created by admin on Wed Apr 02 10:29:16 GMT 2025 , Edited by admin on Wed Apr 02 10:29:16 GMT 2025
PRIMARY
FDA UNII
82HK4YW7YE
Created by admin on Wed Apr 02 10:29:16 GMT 2025 , Edited by admin on Wed Apr 02 10:29:16 GMT 2025
PRIMARY
PUBCHEM
135446390
Created by admin on Wed Apr 02 10:29:16 GMT 2025 , Edited by admin on Wed Apr 02 10:29:16 GMT 2025
PRIMARY
Related Record Type Details
IONIC MOIETY
SALT/SOLVATE -> PARENT