ISOMETHEPTENE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C9H19N
Molecular Weight	141.2539
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ISOMETHEPTENE

Structure Search

SMILES

CNC(C)CCC=C(C)C

InChI

InChIKey=XVQUOJBERHHONY-UHFFFAOYSA-N

InChI=1S/C9H19N/c1-8(2)6-5-7-9(3)10-4/h6,9-10H,5,7H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C9H19N
Molecular Weight	141.2539
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:23:00 UTC 2023` Edited by `admin` on `Fri Dec 15 15:23:00 UTC 2023`
Record UNII	Y7L24THH6T
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ISOMETHEPTENE

Official Name

English

ISOMETHEPTENE [MART.]

Common Name

English

isometheptene [INN]

Common Name

English

N,1,5-TRIMETHYL-4-HEXENYLAMINE

Systematic Name

English

ISOMETHEPTENE [MI]

Common Name

English

6-METHYLAMINO-2-METHYLHEPTENE

Systematic Name

English

OCTIN

Brand Name

English

4-HEXENYLAMINE, N,1,5-TRIMETHYL-

Systematic Name

English

ISONYL

Brand Name

English

2-METHYL-6-METHYLAMINO-2-HEPTENE

Systematic Name

English

N,6-DIMETHYL-5-HEPTEN-2-AMINE

Systematic Name

English

OCTANIL

Brand Name

English

5-HEPTEN-2-AMINE, N,6-DIMETHYL-

Systematic Name

English

Isometheptene [WHO-DD]

Common Name

English

Classification Tree Code System Code

LIVERTOX

520

Created by admin on Fri Dec 15 15:23:00 UTC 2023 , Edited by admin on Fri Dec 15 15:23:00 UTC 2023

WHO-ATC

A03AX10

Created by admin on Fri Dec 15 15:23:00 UTC 2023 , Edited by admin on Fri Dec 15 15:23:00 UTC 2023

NCI_THESAURUS

C29747

Created by admin on Fri Dec 15 15:23:00 UTC 2023 , Edited by admin on Fri Dec 15 15:23:00 UTC 2023

WHO-VATC

QA03AX10

Created by admin on Fri Dec 15 15:23:00 UTC 2023 , Edited by admin on Fri Dec 15 15:23:00 UTC 2023

Code System Code Type Description

INN

576

Created by admin on Fri Dec 15 15:23:00 UTC 2023 , Edited by admin on Fri Dec 15 15:23:00 UTC 2023

PRIMARY

RXCUI

27946

Created by admin on Fri Dec 15 15:23:00 UTC 2023 , Edited by admin on Fri Dec 15 15:23:00 UTC 2023

PRIMARY

RxNorm

PUBCHEM

22297

Created by admin on Fri Dec 15 15:23:00 UTC 2023 , Edited by admin on Fri Dec 15 15:23:00 UTC 2023

PRIMARY

NCI_THESAURUS

C75929

Created by admin on Fri Dec 15 15:23:00 UTC 2023 , Edited by admin on Fri Dec 15 15:23:00 UTC 2023

PRIMARY

ECHA (EC/EINECS)

207-959-6

Created by admin on Fri Dec 15 15:23:00 UTC 2023 , Edited by admin on Fri Dec 15 15:23:00 UTC 2023

PRIMARY

CAS

65783-53-1

Created by admin on Fri Dec 15 15:23:00 UTC 2023 , Edited by admin on Fri Dec 15 15:23:00 UTC 2023

SUPERSEDED

DRUG BANK

DB06706

Created by admin on Fri Dec 15 15:23:00 UTC 2023 , Edited by admin on Fri Dec 15 15:23:00 UTC 2023

PRIMARY

MERCK INDEX

m6501

Created by admin on Fri Dec 15 15:23:00 UTC 2023 , Edited by admin on Fri Dec 15 15:23:00 UTC 2023

PRIMARY

Merck Index

EVMPD

SUB08324MIG

Created by admin on Fri Dec 15 15:23:00 UTC 2023 , Edited by admin on Fri Dec 15 15:23:00 UTC 2023

PRIMARY

ChEMBL

CHEMBL1697841

Created by admin on Fri Dec 15 15:23:00 UTC 2023 , Edited by admin on Fri Dec 15 15:23:00 UTC 2023

PRIMARY

SMS_ID

100000082812

Created by admin on Fri Dec 15 15:23:00 UTC 2023 , Edited by admin on Fri Dec 15 15:23:00 UTC 2023

PRIMARY

MESH

C008192

Created by admin on Fri Dec 15 15:23:00 UTC 2023 , Edited by admin on Fri Dec 15 15:23:00 UTC 2023

PRIMARY

EPA CompTox

DTXSID9023172

Created by admin on Fri Dec 15 15:23:00 UTC 2023 , Edited by admin on Fri Dec 15 15:23:00 UTC 2023

PRIMARY

CAS

503-01-5

Created by admin on Fri Dec 15 15:23:00 UTC 2023 , Edited by admin on Fri Dec 15 15:23:00 UTC 2023

PRIMARY

FDA UNII

Y7L24THH6T

Created by admin on Fri Dec 15 15:23:00 UTC 2023 , Edited by admin on Fri Dec 15 15:23:00 UTC 2023

PRIMARY

DRUG CENTRAL

1496

Created by admin on Fri Dec 15 15:23:00 UTC 2023 , Edited by admin on Fri Dec 15 15:23:00 UTC 2023

PRIMARY

WIKIPEDIA

Isometheptene

Created by admin on Fri Dec 15 15:23:00 UTC 2023 , Edited by admin on Fri Dec 15 15:23:00 UTC 2023

PRIMARY

Related Record Type Details


					9Z4CJC3O5F

ISOMETHEPTENE HYDROCHLORIDE

SALT/SOLVATE -> PARENT


					GOO8ZCK7RT

DEXISOMETHEPTENE

ENANTIOMER -> RACEMATE

Related Record Type Details


					Y7L24THH6T

ACTIVE MOIETY