RIMEGEPANT

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H28F2N6O3
Molecular Weight	534.5571
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of RIMEGEPANT

Structure Search

SMILES

N[C@H]1[C@@H](CC[C@@H](OC(=O)N2CCC(CC2)N3C(=O)NC4=C3C=CC=N4)C5=C1C=CC=N5)C6=CC=CC(F)=C6F

InChI

InChIKey=KRNAOFGYEFKHPB-ANJVHQHFSA-N

InChI=1S/C28H28F2N6O3/c29-20-6-1-4-17(23(20)30)18-8-9-22(25-19(24(18)31)5-2-12-32-25)39-28(38)35-14-10-16(11-15-35)36-21-7-3-13-33-26(21)34-27(36)37/h1-7,12-13,16,18,22,24H,8-11,14-15,31H2,(H,33,34,37)/t18-,22+,24-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H28F2N6O3
Molecular Weight	534.5571
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 17:33:38 UTC 2023` Edited by `admin` on `Sat Dec 16 17:33:38 UTC 2023`
Record UNII	997WVV895X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RIMEGEPANT

Official Name

English

(5S,6S,9R)-5-Amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl 4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate

Systematic Name

English

Rimegepant [WHO-DD]

Common Name

English

BMS-927711

Code

English

RIMEGEPANT [MI]

Common Name

English

1-PIPERIDINECARBOXYLIC ACID, 4-(2,3-DIHYDRO-2-OXO-1H-IMIDAZO(4,5-B)PYRIDIN-1-YL)-, (5S,6S,9R)-5-AMINO-6-(2,3-DIFLUOROPHENYL)-6,7,8,9-TETRAHYDRO-5H-CYCLOHEPTA(B)PYRIDIN-9-YL ESTER

Systematic Name

English

BHV-3000

Common Name

English

rimegepant [INN]

Common Name

English

RIMEGEPANT [USAN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C241

Created by admin on Sat Dec 16 17:33:40 UTC 2023 , Edited by admin on Sat Dec 16 17:33:40 UTC 2023

Code System Code Type Description

DRUG CENTRAL

5381

Created by admin on Sat Dec 16 17:33:40 UTC 2023 , Edited by admin on Sat Dec 16 17:33:40 UTC 2023

PRIMARY

PUBCHEM

51049968

Created by admin on Sat Dec 16 17:33:40 UTC 2023 , Edited by admin on Sat Dec 16 17:33:40 UTC 2023

PRIMARY

ChEMBL

CHEMBL2178422

Created by admin on Sat Dec 16 17:33:40 UTC 2023 , Edited by admin on Sat Dec 16 17:33:40 UTC 2023

PRIMARY

SMS_ID

300000023332

Created by admin on Sat Dec 16 17:33:40 UTC 2023 , Edited by admin on Sat Dec 16 17:33:40 UTC 2023

PRIMARY

WIKIPEDIA

Rimegepant

Created by admin on Sat Dec 16 17:33:40 UTC 2023 , Edited by admin on Sat Dec 16 17:33:40 UTC 2023

PRIMARY

INN

9751

Created by admin on Sat Dec 16 17:33:40 UTC 2023 , Edited by admin on Sat Dec 16 17:33:40 UTC 2023

PRIMARY

LACTMED

Rimegepant

Created by admin on Sat Dec 16 17:33:40 UTC 2023 , Edited by admin on Sat Dec 16 17:33:40 UTC 2023

PRIMARY

DRUG BANK

DB12457

Created by admin on Sat Dec 16 17:33:40 UTC 2023 , Edited by admin on Sat Dec 16 17:33:40 UTC 2023

PRIMARY

EPA CompTox

DTXSID70156003

Created by admin on Sat Dec 16 17:33:40 UTC 2023 , Edited by admin on Sat Dec 16 17:33:40 UTC 2023

PRIMARY

FDA UNII

997WVV895X

Created by admin on Sat Dec 16 17:33:40 UTC 2023 , Edited by admin on Sat Dec 16 17:33:40 UTC 2023

PRIMARY

CAS

1289023-67-1

Created by admin on Sat Dec 16 17:33:40 UTC 2023 , Edited by admin on Sat Dec 16 17:33:40 UTC 2023

PRIMARY

DAILYMED

997WVV895X

Created by admin on Sat Dec 16 17:33:40 UTC 2023 , Edited by admin on Sat Dec 16 17:33:40 UTC 2023

PRIMARY

MERCK INDEX

m12192

Created by admin on Sat Dec 16 17:33:40 UTC 2023 , Edited by admin on Sat Dec 16 17:33:40 UTC 2023

PRIMARY

NCI_THESAURUS

C152220

Created by admin on Sat Dec 16 17:33:40 UTC 2023 , Edited by admin on Sat Dec 16 17:33:40 UTC 2023

PRIMARY

RXCUI

2282307

Created by admin on Sat Dec 16 17:33:40 UTC 2023 , Edited by admin on Sat Dec 16 17:33:40 UTC 2023

PRIMARY

USAN

ZZ-71

Created by admin on Sat Dec 16 17:33:40 UTC 2023 , Edited by admin on Sat Dec 16 17:33:40 UTC 2023

PRIMARY

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((5S,6S,9R)-5-AMINO-6-(2,3-DIFLUOROPHENYL)-6,7,8,9-TETRAHYDRO-5H-CYCLOHEPTA(B)PYRIDIN-9-YL) 4-HYDROXYPIPERIDINE-1-CARBOXYLATE

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ACTIVE MOIETY

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Tmax	PHARMACOKINETIC				ORAL ADMINISTRATION

ORAL BIOAVAILABILITY	PHARMACOKINETIC

Volume of Distribution	PHARMACOKINETIC				AT STEADY-STATE

Tmax	PHARMACOKINETIC				HIGH-FAT MEAL FED CONDITION ORAL ADMINISTRATION

Biological Half-life	PHARMACOKINETIC				IN HEALTHY SUBJECTS