CINEPAXADIL

Details

Stereochemistry	RACEMIC
Molecular Formula	C29H36N2O9
Molecular Weight	556.6041
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC(\C=C\C(=O)N2CCN(CC(O)COC3=CC=C(C(C)=O)C4=C3OCCO4)CC2)=CC(OC)=C1OC

InChI

InChIKey=SYFDPNLESAYNCB-VMPITWQZSA-N

InChI=1S/C29H36N2O9/c1-19(32)22-6-7-23(29-27(22)38-13-14-39-29)40-18-21(33)17-30-9-11-31(12-10-30)26(34)8-5-20-15-24(35-2)28(37-4)25(16-20)36-3/h5-8,15-16,21,33H,9-14,17-18H2,1-4H3/b8-5+

HIDE SMILES / InChI

Molecular Formula	C29H36N2O9
Molecular Weight	556.6041
Charge	0
Count

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

Description
Sources: https://worldwide.espacenet.com/publicationDetails/biblio?DB=EPODOC&II=0&ND=3&adjacent=true&locale=en_EP&FT=D&date=19781026&CC=DE&NR=2816785A1&KC=A1 | https://www.ncbi.nlm.nih.gov/pubmed/11087578

Cinepaxadil is cinnamoyl-piperazine derivative developed by Delalande SA for treatment cardiovascular system disorders. Cinepaxadil decrease dogs cardiac activity after i.v. administration.

Originator

Approval Year

PubMed

Title	Date	PubMed
Classification of multidrug-resistance reversal agents using structure-based descriptors and linear discriminant analysis.	2000 Nov 16	11087578

Patents

Sample Use Guides

In Vivo Use Guide

2.5 mg/kg i.v. in dogs

Route of Administration: Intravenous

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:24:05 GMT 2023` Edited by `admin` on `Fri Dec 15 16:24:05 GMT 2023`
Record UNII	E052L8N506
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CINEPAXADIL

Official Name

English

cinepaxadil [INN]

Common Name

English

.ALPHA.-(((8-ACETYL-1,4-BENZODIOXAN-5-YL)OXY)METHYL)-4-(3,4,5-TRIMETHOXYCINNAMOYL)-1-PIPERAZINEETHANOL

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C29707