DEXISOMETHEPTENE MUCATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C9H19N.C6H10O8
Molecular Weight	492.6465
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN[C@H](C)CCC=C(C)C.CN[C@H](C)CCC=C(C)C.O[C@@H]([C@@H](O)[C@H](O)C(O)=O)[C@@H](O)C(O)=O

InChI

InChIKey=WSXKZIDINJKWPM-QIVNROIFSA-N

InChI=1S/2C9H19N.C6H10O8/c2*1-8(2)6-5-7-9(3)10-4;7-1(3(9)5(11)12)2(8)4(10)6(13)14/h2*6,9-10H,5,7H2,1-4H3;1-4,7-10H,(H,11,12)(H,13,14)/t2*9-;1-,2+,3+,4-/m11./s1

HIDE SMILES / InChI

Molecular Formula	C9H19N
Molecular Weight	141.2539
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C6H10O8
Molecular Weight	210.1388
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/28474252 | https://finance.yahoo.com/news/tnxp-tnx-201-development-stopped-184500374.html

ISOMETHEPTENE, (R)- is an antimigraine drug candidate, which development was discontinued in 2016. It is a potent agonist of the imidazoline-1-receptor.

Originator

Approval Year

PubMed

Title	Date	PubMed
Pharmacological analysis of the increases in heart rate and diastolic blood pressure produced by (S)-isometheptene and (R)-isometheptene in pithed rats.	2017 Dec	28474252
Effects of two isometheptene enantiomers in isolated human blood vessels and rat middle meningeal artery - potential antimigraine efficacy.	2019 May 3	31053059

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:56:00 GMT 2023` Edited by `admin` on `Sat Dec 16 09:56:00 GMT 2023`
Record UNII	G5E8S36F0N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DEXISOMETHEPTENE MUCATE

Official Name

English

DEXISOMETHEPTENE MUCATE [USAN]

Common Name

English

TNX-201

Code

English

GALACTARIC ACID, COMPD. WITH (2R)-N,6-DIMETHYL-5-HEPTEN-2-AMINE (1:2)

Systematic Name

English

Code System Code Type Description

SMS_ID

300000044469