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

Details

Stereochemistry ACHIRAL
Molecular Formula C18H35NO2.ClH
Molecular Weight 333.937
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOMYLAMINE HYDROCHLORIDE

SMILES

Cl.CCN(CC)CCOC(=O)C1(CCC(C)C)CCCCC1

InChI

InChIKey=KMYDNZZJBUDBTI-UHFFFAOYSA-N
InChI=1S/C18H35NO2.ClH/c1-5-19(6-2)14-15-21-17(20)18(13-10-16(3)4)11-8-7-9-12-18;/h16H,5-15H2,1-4H3;1H

HIDE SMILES / InChI

Approval Year

Name Type Language
ISOMYLAMINE HYDROCHLORIDE
USAN  
USAN  
Official Name English
CYCLOHEXANECARBOXYLIC ACID, 1-(3-METHYLBUTYL)-, 2-(DIETHYLAMINO)ETHYL ESTER HYDROCHLORIDE
Common Name English
2-(Diethylamino)ethyl 1-isopentylcyclohexanecarboxylate hydrochloride
Systematic Name English
ISOMYLAMINE HYDROCHLORIDE [USAN]
Common Name English
NSC-78987
Code English
ISOMYLAMINE HCL
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C29696
Created by admin on Fri Dec 15 15:34:59 UTC 2023 , Edited by admin on Fri Dec 15 15:34:59 UTC 2023
Code System Code Type Description
CAS
24357-98-0
Created by admin on Fri Dec 15 15:34:59 UTC 2023 , Edited by admin on Fri Dec 15 15:34:59 UTC 2023
PRIMARY
ChEMBL
CHEMBL2110683
Created by admin on Fri Dec 15 15:34:59 UTC 2023 , Edited by admin on Fri Dec 15 15:34:59 UTC 2023
PRIMARY
FDA UNII
8S4M0WS2UA
Created by admin on Fri Dec 15 15:34:59 UTC 2023 , Edited by admin on Fri Dec 15 15:34:59 UTC 2023
PRIMARY
NSC
78987
Created by admin on Fri Dec 15 15:34:59 UTC 2023 , Edited by admin on Fri Dec 15 15:34:59 UTC 2023
PRIMARY
NCI_THESAURUS
C76012
Created by admin on Fri Dec 15 15:34:59 UTC 2023 , Edited by admin on Fri Dec 15 15:34:59 UTC 2023
PRIMARY
EPA CompTox
DTXSID70179090
Created by admin on Fri Dec 15 15:34:59 UTC 2023 , Edited by admin on Fri Dec 15 15:34:59 UTC 2023
PRIMARY
PUBCHEM
172985
Created by admin on Fri Dec 15 15:34:59 UTC 2023 , Edited by admin on Fri Dec 15 15:34:59 UTC 2023
PRIMARY