U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C28H25F2N5O4
Molecular Weight 533.526
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BMS-922755

SMILES

FC1=C(F)C(=CC=C1)[C@@H]2CC[C@@H](OC(=O)N3CCC(CC3)N4C(=O)NC5=C4C=CC=N5)C6=C(C=CC=N6)C2=O

InChI

InChIKey=WLJCNLRHCYLSIH-PGRDOPGGSA-N
InChI=1S/C28H25F2N5O4/c29-20-6-1-4-17(23(20)30)18-8-9-22(24-19(25(18)36)5-2-12-31-24)39-28(38)34-14-10-16(11-15-34)35-21-7-3-13-32-26(21)33-27(35)37/h1-7,12-13,16,18,22H,8-11,14-15H2,(H,32,33,37)/t18-,22+/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H25F2N5O4
Molecular Weight 533.526
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:36:23 GMT 2023
Edited
by admin
on Sat Dec 16 16:36:23 GMT 2023
Record UNII
RTN356FC1D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BMS-922755
Common Name English
1-PIPERIDINECARBOXYLIC ACID, 4-(2,3-DIHYDRO-2-OXO-1H-IMIDAZO(4,5-B)PYRIDIN-1-YL)-, (6S,9R)-6-(2,3-DIFLUOROPHENYL)-6,7,8,9-TETRAHYDRO-5-OXO-5H-CYCLOHEPTA(B)PYRIDIN-9-YL ESTER
Systematic Name English
RIMEGEPANT METABOLITE M26
Common Name English
Code System Code Type Description
CAS
1413936-28-3
Created by admin on Sat Dec 16 16:36:23 GMT 2023 , Edited by admin on Sat Dec 16 16:36:23 GMT 2023
PRIMARY
PUBCHEM
51357583
Created by admin on Sat Dec 16 16:36:23 GMT 2023 , Edited by admin on Sat Dec 16 16:36:23 GMT 2023
PRIMARY
FDA UNII
RTN356FC1D
Created by admin on Sat Dec 16 16:36:23 GMT 2023 , Edited by admin on Sat Dec 16 16:36:23 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE