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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H22F4N4O3
Molecular Weight 418.3859
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Repinatrabit

SMILES

NC(=O)N1CCC[C@H](C1)N(C2CC2)C(=O)NCC3=CC=C(OC(F)(F)F)C=C3F

InChI

InChIKey=FNRHWODWSBDOOY-CYBMUJFWSA-N
InChI=1S/C18H22F4N4O3/c19-15-8-14(29-18(20,21)22)6-3-11(15)9-24-17(28)26(12-4-5-12)13-2-1-7-25(10-13)16(23)27/h3,6,8,12-13H,1-2,4-5,7,9-10H2,(H2,23,27)(H,24,28)/t13-/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H22F4N4O3
Molecular Weight 418.3859
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 14:03:22 GMT 2025
Edited
by admin
on Wed Apr 02 14:03:22 GMT 2025
Record UNII
5P44NDU6AC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
JNT-517
Preferred Name English
Repinatrabit
INN  
Official Name English
(3R)-3-[cyclopropyl({[2-fluoro-4-(trifluoromethoxy)phenyl]methyl}carbamoyl)amino]piperidine-1-carboxamide
Systematic Name English
1-Piperidinecarboxamide, 3-[cyclopropyl[[[[2-fluoro-4-(trifluoromethoxy)phenyl]methyl]amino]carbonyl]amino]-, (3R)-
Systematic Name English
repinatrabit [INN]
Common Name English
JNT517
Code English
Code System Code Type Description
INN
13200
Created by admin on Wed Apr 02 14:03:22 GMT 2025 , Edited by admin on Wed Apr 02 14:03:22 GMT 2025
PRIMARY
CAS
2837993-05-0
Created by admin on Wed Apr 02 14:03:22 GMT 2025 , Edited by admin on Wed Apr 02 14:03:22 GMT 2025
PRIMARY
PUBCHEM
168510630
Created by admin on Wed Apr 02 14:03:22 GMT 2025 , Edited by admin on Wed Apr 02 14:03:22 GMT 2025
PRIMARY
FDA UNII
5P44NDU6AC
Created by admin on Wed Apr 02 14:03:22 GMT 2025 , Edited by admin on Wed Apr 02 14:03:22 GMT 2025
PRIMARY
SMS_ID
300000051375
Created by admin on Wed Apr 02 14:03:22 GMT 2025 , Edited by admin on Wed Apr 02 14:03:22 GMT 2025
PRIMARY
NCI_THESAURUS
C213387
Created by admin on Wed Apr 02 14:03:22 GMT 2025 , Edited by admin on Wed Apr 02 14:03:22 GMT 2025
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
ALLOSTERIC
Related Record Type Details
ACTIVE MOIETY