BMS-946030

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 Search

SMILES

N[C@H]1[C@@H](CC[C@@H](O)C2=NC=CC=C12)C3=C(F)C(F)=CC=C3

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 `Wed Apr 02 07:16:26 GMT 2025` Edited by `admin` on `Wed Apr 02 07:16:26 GMT 2025`
Record UNII	5P1OIT0UI6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BMS-946030

Common Name

English

RIMEGEPANT METABOLITE M18

Preferred 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

(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 Wed Apr 02 07:16:26 GMT 2025 , Edited by admin on Wed Apr 02 07:16:26 GMT 2025

PRIMARY

PUBCHEM

58468001

Created by admin on Wed Apr 02 07:16:26 GMT 2025 , Edited by admin on Wed Apr 02 07:16:26 GMT 2025

PRIMARY

CAS

1373116-05-2

Created by admin on Wed Apr 02 07:16:26 GMT 2025 , Edited by admin on Wed Apr 02 07:16:26 GMT 2025

PRIMARY

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