AVITRIPTAN FUMARATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H30N6O3S.C4H4O4
Molecular Weight	574.649
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)\C=C\C(O)=O.CNS(=O)(=O)CC1=CC=C2NC=C(CCCN3CCN(CC3)C4=NC=NC=C4OC)C2=C1

InChI

InChIKey=FMXXORRZIQGUIN-WLHGVMLRSA-N

InChI=1S/C22H30N6O3S.C4H4O4/c1-23-32(29,30)15-17-5-6-20-19(12-17)18(13-25-20)4-3-7-27-8-10-28(11-9-27)22-21(31-2)14-24-16-26-22;5-3(6)1-2-4(7)8/h5-6,12-14,16,23,25H,3-4,7-11,15H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

HIDE SMILES / InChI

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/8916559 | https://www.ncbi.nlm.nih.gov/pubmed/9050026

Avitriptan (BMS-180048), a new 5-HT 1B/1D receptor agonist, has been studied in phase II clinical trials in patients with migraine headaches. Later experiments have confirmed antimigraine activity together with coronary side-effect potential that is why further studies were discontinued.

Originator

Approval Year

PubMed

Title	Date	PubMed

Sample Use Guides

In Vivo Use Guide

Avitriptan (BMS180048) in doses of 25, 50, or 75 mg to placebo in effectiveness of treatment of a single migraine headache

Route of Administration: Oral

Name

Type

Language

AVITRIPTAN FUMARATE

Official Name

English

1H-INDOLE-5-METHANESULFONAMIDE, 3-(3-(4-(5-METHOXY-4-PYRIMIDINYL)-1-PIPERAZINYL)PROPYL)-N-METHYL-, (E)-2-BUTENEDIOATE (1:1)

Systematic Name

English

3-(3-(4-(5-METHOXY-4-PYRIMIDINYL)-1-PIPERAZINYL)PROPYL)-N-METHYL-1H-INDOLE-5-METHANESULFONAMIDE FUMARATE

Systematic Name

English

BMS-180048

Code

English

BMS-180048-02

Code

English

AVITRIPTAN FUMARATE [USAN]

Common Name

English

3-[3-[4-(5-Methoxy-4-pyrimidinyl)-1-piperazinyl]propyl]-N-methylindole-5-methanesulfonamide fumarate (1:1)

Systematic Name

English

BMS-18004802

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C29710