EZLOPITANT DIHYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H38N2O.2ClH
Molecular Weight	527.568
Optical Activity	( - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.Cl.COC1=CC=C(C=C1CN[C@H]2C3CCN(CC3)[C@H]2C(C4=CC=CC=C4)C5=CC=CC=C5)C(C)C

InChI

InChIKey=TYLAMTZGTVVECF-YBZGWEFGSA-N

InChI=1S/C31H38N2O.2ClH/c1-22(2)26-14-15-28(34-3)27(20-26)21-32-30-25-16-18-33(19-17-25)31(30)29(23-10-6-4-7-11-23)24-12-8-5-9-13-24;;/h4-15,20,22,25,29-32H,16-19,21H2,1-3H3;2*1H/t30-,31-;;/m0../s1

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C31H38N2O
Molecular Weight	454.6462
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/11890362 | https://adisinsight.springer.com/drugs/800010186

Ezlopitant (CJ-11974) is a non-peptide neurokinin-1 receptor antagonist. Pfizer was developing ezlopitant for the potential treatment of irritable bowel syndrome and chemotherapy-induced emesis. Development of ezlopitant has been discontinued.

CNS Activity

Originator

Approval Year

PubMed

Title	Date	PubMed
Randomized phase II study of the neurokinin 1 receptor antagonist CJ-11,974 in the control of cisplatin-induced emesis.	1999 Jan	10458252
Anti-emetic activity of the novel nonpeptide tachykinin NK1 receptor antagonist ezlopitant (CJ-11,974) against acute and delayed cisplatin-induced emesis in the ferret.	2002 Nov	12372904

Patents

Sample Use Guides

In Vivo Use Guide

Randomized phase II study of ezlopitant (CJ-11974) in the control of cisplatin-induced emesis. Patients were randomly assigned to two groups: group 1 received CJ-11,974 100 mg, and group 2 received placebo orally 30 minutes before and 12 hours after cisplatin and then twice daily on days 2 through 5 after cisplatin.

Route of Administration: Oral

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:40:33 GMT 2023` Edited by `admin` on `Sat Dec 16 18:40:33 GMT 2023`
Record UNII	XT268Z422D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

EZLOPITANT DIHYDROCHLORIDE

Common Name

English

1-Azabicyclo[2.2.2]octan-3-amine, 2-(diphenylmethyl)-N-[[2-methoxy-5-(1-methylethyl)phenyl]methyl]-, hydrochloride (1:2), (2S,3S)-

Systematic Name

English

1-Azabicyclo[2.2.2]octan-3-amine, 2-(diphenylmethyl)-N-[[2-methoxy-5-(1-methylethyl)phenyl]methyl]-, dihydrochloride, (2S,3S)-

Systematic Name

English

Code System Code Type Description

FDA UNII

XT268Z422D

Created by admin on Sat Dec 16 18:40:33 GMT 2023 , Edited by admin on Sat Dec 16 18:40:33 GMT 2023

PRIMARY

PUBCHEM

9958552

Created by admin on Sat Dec 16 18:40:33 GMT 2023 , Edited by admin on Sat Dec 16 18:40:33 GMT 2023

PRIMARY

CAS

331676-67-6

Created by admin on Sat Dec 16 18:40:33 GMT 2023 , Edited by admin on Sat Dec 16 18:40:33 GMT 2023

NON-SPECIFIC STOICHIOMETRY

CAS

223389-63-7

Created by admin on Sat Dec 16 18:40:33 GMT 2023 , Edited by admin on Sat Dec 16 18:40:33 GMT 2023

PRIMARY

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Details

SMILES

InChI

DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/11890362 | https://adisinsight.springer.com/drugs/800010186

CNS Activity

Originator

Approval Year

PubMed

Patents

Sample Use Guides

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/11890362 | https://adisinsight.springer.com/drugs/800010186