FIGOPITANT

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H31F6N3O
Molecular Weight	527.545
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN(CCC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C(=O)[C@@H](N2CCN(CC3CC3)CC2)C4=CC=CC=C4

InChI

InChIKey=HUTHJVYJUPXHDF-DEOSSOPVSA-N

InChI=1S/C27H31F6N3O/c1-34(10-9-20-15-22(26(28,29)30)17-23(16-20)27(31,32)33)25(37)24(21-5-3-2-4-6-21)36-13-11-35(12-14-36)18-19-7-8-19/h2-6,15-17,19,24H,7-14,18H2,1H3/t24-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H31F6N3O
Molecular Weight	527.545
Charge	0
Count

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

Description
Sources: https://trials.boehringer-ingelheim.com/trial_results/clinical_trials_overview/clinical_trial_result.c=n.i=75.html?document_type=1 | https://www.ncbi.nlm.nih.gov/pubmed/15140636

FIGOPITANT is a tachykinin NK1 receptor antagonist. It can inhibit scratching behavior in an atopic dermatitis model. It is under investigation in clinical trials to obtain preliminary pharmacokinetics data and information about FIGOPITANT safety and tolerability in healthy volunteers.

Originator

Approval Year

PubMed

Title	Date	PubMed
Involvement of substance P in scratching behaviour in an atopic dermatitis model.	2004 May 3	15140636
Investigation of figopitant and its metabolites in rat tissue by combining whole-body autoradiography with liquid extraction surface analysis mass spectrometry.	2012 Mar	22184457

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:13:46 GMT 2023` Edited by `admin` on `Fri Dec 15 16:13:46 GMT 2023`
Record UNII	23X73B9O6Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FIGOPITANT

Official Name

English

BIIF 1149 BS

Code

English

(S)-N-(BIS(3,5-TRIFLUOROMETHYL)PHENETHYL)-4-(CYCLOPROPYLMETHYL)-N-METHYL-.ALPHA.-PHENYL-1-PIPERAZINEACETAMIDE

Common Name

English

BIIF-1149 BS

Code

English

figopitant [INN]

Common Name

English

BIIF-1149-BS

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C267