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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 of FIGOPITANT

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
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Description

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

Substance Class Chemical
Record UNII
23X73B9O6Q
Record Status Validated (UNII)
Record Version