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

Details

Stereochemistry ABSOLUTE
Molecular Formula C16H16F2N2O
Molecular Weight 290.3078
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BMS-946030

SMILES

N[C@H]1[C@@H](CC[C@@H](O)C2=C1C=CC=N2)C3=CC=CC(F)=C3F

InChI

InChIKey=LZGRTPPTGDJDKZ-ZBINZKHDSA-N
InChI=1S/C16H16F2N2O/c17-12-5-1-3-9(14(12)18)10-6-7-13(21)16-11(15(10)19)4-2-8-20-16/h1-5,8,10,13,15,21H,6-7,19H2/t10-,13+,15-/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H16F2N2O
Molecular Weight 290.3078
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:10:12 UTC 2023
Edited
by admin
on Sat Dec 16 16:10:12 UTC 2023
Record UNII
5P1OIT0UI6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BMS-946030
Common Name English
5H-CYCLOHEPTA(B)PYRIDIN-9-OL, 5-AMINO-6-(2,3-DIFLUOROPHENYL)-6,7,8,9-TETRAHYDRO-, (5S,6S,9R)-
Systematic Name English
RIMEGEPANT METABOLITE M18
Common Name English
(5S,6S,9R)-5-AMINO-6-(2,3-DIFLUOROPHENYL)-6,7,8,9-TETRAHYDRO-5H-CYCLOHEPTA(B)PYRIDIN-9-OL
Systematic Name English
Code System Code Type Description
FDA UNII
5P1OIT0UI6
Created by admin on Sat Dec 16 16:10:12 UTC 2023 , Edited by admin on Sat Dec 16 16:10:12 UTC 2023
PRIMARY
PUBCHEM
58468001
Created by admin on Sat Dec 16 16:10:12 UTC 2023 , Edited by admin on Sat Dec 16 16:10:12 UTC 2023
PRIMARY
CAS
1373116-05-2
Created by admin on Sat Dec 16 16:10:12 UTC 2023 , Edited by admin on Sat Dec 16 16:10:12 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
Related Record Type Details
PARENT -> IMPURITY