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Details

Stereochemistry MIXED
Molecular Formula C21H43N3
Molecular Weight 337.5862
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Dehydrohexetidine

SMILES

CCCCC(CC)CNCC1(C)CN(CC(CC)CCCC)C=N1

InChI

InChIKey=WYIXWBXIDLGTCJ-UHFFFAOYSA-N
InChI=1S/C21H43N3/c1-6-10-12-19(8-3)14-22-16-21(5)17-24(18-23-21)15-20(9-4)13-11-7-2/h18-20,22H,6-17H2,1-5H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
HEXETIDINE IMPURITY A [EP IMPURITY]
Preferred Name English
Dehydrohexetidine
Common Name English
N,1-Bis(2-ethylhexyl)-4,5-dihydro-4-methyl-1H-imidazole-4-methanamine
Systematic Name English
1H-Imidazole-4-methanamine, N,1-bis(2-ethylhexyl)-4,5-dihydro-4-methyl-
Systematic Name English
2-ethyl-N-[[1-(2-ethylhexyl)-4-methyl-4,5-dihydro-1H-imidazol-4-yl]methyl]hexan-1-amine
Systematic Name English
Code System Code Type Description
PUBCHEM
10404830
Created by admin on Wed Apr 02 17:47:31 GMT 2025 , Edited by admin on Wed Apr 02 17:47:31 GMT 2025
PRIMARY
FDA UNII
UVU7K3N47B
Created by admin on Wed Apr 02 17:47:31 GMT 2025 , Edited by admin on Wed Apr 02 17:47:31 GMT 2025
PRIMARY
CAS
188655-38-1
Created by admin on Wed Apr 02 17:47:31 GMT 2025 , Edited by admin on Wed Apr 02 17:47:31 GMT 2025
PRIMARY
SUBSTANCE RECORD
Structure of Dehydrohexetidine
NIH
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