U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C19H41ClNO.Cl
Molecular Weight 370.441
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0
Stereo Comments Assumed racemic

SHOW SMILES / InChI
Structure of 3-CHLORO-2-HYDROXYPROPYL DIMETHYLMYRISTYLAMMONIUM CHLORIDE

SMILES

[Cl-].CCCCCCCCCCCCCC[N+](C)(C)CC(O)CCl

InChI

InChIKey=YPIKEVGFJFAYNE-UHFFFAOYSA-M
InChI=1S/C19H41ClNO.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21(2,3)18-19(22)17-20;/h19,22H,4-18H2,1-3H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C19H40ClNO
Molecular Weight 333.98
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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:18:19 GMT 2023
Edited
by admin
on Sat Dec 16 14:18:19 GMT 2023
Record UNII
77M58YV4CM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-CHLORO-2-HYDROXYPROPYL DIMETHYLMYRISTYLAMMONIUM CHLORIDE
Systematic Name English
1-TETRADECANAMINIUM, N-(3-CHLORO-2-HYDROXYPROPYL)-N,N-DIMETHYL-, CHLORIDE (1:1)
Systematic Name English
(3-CHLORO-2-HYDROXYPROPYL)-LMYRISTYL-DIMETHYLAZANIUM CHLORIDE
Systematic Name English
(3-CHLORO-2-HYDROXYPROPYL)DIMETHYLTETRADECYLAMMONIUM CHLORIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
21189282
Created by admin on Sat Dec 16 14:18:19 GMT 2023 , Edited by admin on Sat Dec 16 14:18:19 GMT 2023
PRIMARY
FDA UNII
77M58YV4CM
Created by admin on Sat Dec 16 14:18:19 GMT 2023 , Edited by admin on Sat Dec 16 14:18:19 GMT 2023
PRIMARY
CAS
41892-02-8
Created by admin on Sat Dec 16 14:18:19 GMT 2023 , Edited by admin on Sat Dec 16 14:18:19 GMT 2023
PRIMARY