U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula C28H28F6N4O
Molecular Weight 550.5385
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of IMNOPITANT

SMILES

CN(CC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C(=O)C2=CN=C(C=C2C3=CC=CC=C3C)N4CCN(C)CC4

InChI

InChIKey=HCNNJLLLMSVTFH-UHFFFAOYSA-N
InChI=1S/C28H28F6N4O/c1-18-6-4-5-7-22(18)23-15-25(38-10-8-36(2)9-11-38)35-16-24(23)26(39)37(3)17-19-12-20(27(29,30)31)14-21(13-19)28(32,33)34/h4-7,12-16H,8-11,17H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C28H28F6N4O
Molecular Weight 550.5385
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 22:49:33 GMT 2025
Edited
by admin
on Tue Apr 01 22:49:33 GMT 2025
Record UNII
F1516R3E77
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
imnopitant [INN]
Preferred Name English
IMNOPITANT
INN  
Official Name English
Code System Code Type Description
FDA UNII
F1516R3E77
Created by admin on Tue Apr 01 22:49:33 GMT 2025 , Edited by admin on Tue Apr 01 22:49:33 GMT 2025
PRIMARY
INN
11070
Created by admin on Tue Apr 01 22:49:33 GMT 2025 , Edited by admin on Tue Apr 01 22:49:33 GMT 2025
PRIMARY
CAS
290297-57-3
Created by admin on Tue Apr 01 22:49:33 GMT 2025 , Edited by admin on Tue Apr 01 22:49:33 GMT 2025
PRIMARY
NCI_THESAURUS
C175799
Created by admin on Tue Apr 01 22:49:33 GMT 2025 , Edited by admin on Tue Apr 01 22:49:33 GMT 2025
PRIMARY
PUBCHEM
9808518
Created by admin on Tue Apr 01 22:49:33 GMT 2025 , Edited by admin on Tue Apr 01 22:49:33 GMT 2025
PRIMARY
SMS_ID
300000018854
Created by admin on Tue Apr 01 22:49:33 GMT 2025 , Edited by admin on Tue Apr 01 22:49:33 GMT 2025
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY