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Details

Stereochemistry RACEMIC
Molecular Formula C9H19N.ClH
Molecular Weight 177.715
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOMETHEPTENE HYDROCHLORIDE

SMILES

Cl.CNC(C)CCC=C(C)C

InChI

InChIKey=AUERTJOCDMCUAL-UHFFFAOYSA-N
InChI=1S/C9H19N.ClH/c1-8(2)6-5-7-9(3)10-4;/h6,9-10H,5,7H2,1-4H3;1H

HIDE SMILES / InChI

Approval Year

Unknown
86413
Name Type Language
ISOMETHEPTENE HYDROCHLORIDE
MART.   MI   WHO-DD  
Common Name English
5-HEPTEN-2-AMINE, N,6-DIMETHYL-, HYDROCHLORIDE (1:1)
Systematic Name English
(1,5-DIMETHYLHEX-4-ENYL)METHYLAMMONIUM CHLORIDE
Systematic Name English
ISOMETHEPTENE HCL
Common Name English
Isometheptene hydrochloride [WHO-DD]
Common Name English
NSC-13066
Code English
ISOMETHEPTENE HYDROCHLORIDE, (±)-
Common Name English
(±)-ISOMETHEPTENE HYDROCHLORIDE
Common Name English
ISOMETHEPDRINE CHLORIDE
Common Name English
ISOMETHEPTENE HYDROCHLORIDE [MI]
Common Name English
4-HEXENYLAMINE, N,1,5-TRIMETHYL-, HYDROCHLORIDE
Systematic Name English
ISOMETHEPTENE HYDROCHLORIDE [MART.]
Common Name English
5-HEPTEN-2-AMINE, N,6-DIMETHYL-, HYDROCHLORIDE
Systematic Name English
2-METHYLAMINOISOOCTANE HYDROCHLORIDE
Common Name English
N,1,5-TRIMETHYL-4-HEXENYLAMINE HYDROCHLORIDE
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C29709
Created by admin on Fri Dec 15 16:07:50 UTC 2023 , Edited by admin on Fri Dec 15 16:07:50 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID9046869
Created by admin on Fri Dec 15 16:07:50 UTC 2023 , Edited by admin on Fri Dec 15 16:07:50 UTC 2023
PRIMARY
ChEMBL
CHEMBL1697841
Created by admin on Fri Dec 15 16:07:50 UTC 2023 , Edited by admin on Fri Dec 15 16:07:50 UTC 2023
PRIMARY
MERCK INDEX
m6501
Created by admin on Fri Dec 15 16:07:50 UTC 2023 , Edited by admin on Fri Dec 15 16:07:50 UTC 2023
PRIMARY Merck Index
EVMPD
SUB14276MIG
Created by admin on Fri Dec 15 16:07:50 UTC 2023 , Edited by admin on Fri Dec 15 16:07:50 UTC 2023
PRIMARY
CAS
6168-86-1
Created by admin on Fri Dec 15 16:07:50 UTC 2023 , Edited by admin on Fri Dec 15 16:07:50 UTC 2023
PRIMARY
PUBCHEM
22549
Created by admin on Fri Dec 15 16:07:50 UTC 2023 , Edited by admin on Fri Dec 15 16:07:50 UTC 2023
PRIMARY
SMS_ID
100000077390
Created by admin on Fri Dec 15 16:07:50 UTC 2023 , Edited by admin on Fri Dec 15 16:07:50 UTC 2023
PRIMARY
ECHA (EC/EINECS)
228-211-5
Created by admin on Fri Dec 15 16:07:50 UTC 2023 , Edited by admin on Fri Dec 15 16:07:50 UTC 2023
PRIMARY
NCI_THESAURUS
C80003
Created by admin on Fri Dec 15 16:07:50 UTC 2023 , Edited by admin on Fri Dec 15 16:07:50 UTC 2023
PRIMARY
NSC
13066
Created by admin on Fri Dec 15 16:07:50 UTC 2023 , Edited by admin on Fri Dec 15 16:07:50 UTC 2023
PRIMARY
FDA UNII
9Z4CJC3O5F
Created by admin on Fri Dec 15 16:07:50 UTC 2023 , Edited by admin on Fri Dec 15 16:07:50 UTC 2023
PRIMARY
ACTIVE MOIETY
Structure of ISOMETHEPTENE
NIH
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