ATOGEPANT

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H23F6N5O3
Molecular Weight	603.515
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ATOGEPANT

Structure Search

SMILES

C[C@@H]1[C@@H](C[C@H](NC(=O)C2=CN=C3C[C@]4(CC3=C2)C(=O)NC5=C4C=CC=N5)C(=O)N1CC(F)(F)F)C6=C(F)C(F)=CC=C6F

InChI

InChIKey=QIVUCLWGARAQIO-OLIXTKCUSA-N

InChI=1S/C29H23F6N5O3/c1-13-16(22-18(30)4-5-19(31)23(22)32)8-20(26(42)40(13)12-29(33,34)35)38-25(41)15-7-14-9-28(10-21(14)37-11-15)17-3-2-6-36-24(17)39-27(28)43/h2-7,11,13,16,20H,8-10,12H2,1H3,(H,38,41)(H,36,39,43)/t13-,16-,20+,28+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C29H23F6N5O3
Molecular Weight	603.515
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:44:43 UTC 2023` Edited by `admin` on `Sat Dec 16 08:44:43 UTC 2023`
Record UNII	7CRV8RR151
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ATOGEPANT

Official Name

English

ATOGEPANT [ORANGE BOOK]

Common Name

English

ATOGEPANT [USAN]

Common Name

English

QULIPTA

Brand Name

English

SPIRO(6H-CYCLOPENTA(B)PYRIDINE-6,3'-(3H)PYRROLO(2,3-B)PYRIDINE)-3-CARBOXAMIDE, 1',2',5,7-TETRAHYDRO-N-((3S,5S,6R)-6-METHYL-2-OXO-1-(2,2,2-TRIFLUOROETHYL)-5-(2,3,6-TRIFLUOROPHENYL)-3-PIPERIDINYL)-2'-OXO-, (3'S)-

Systematic Name

English

atogepant [INN]

Common Name

English

Atogepant [WHO-DD]

Common Name

English

(3'S)-1',2',5,7-TETRAHYDRO-N-((3S,5S,6R)-6-METHYL-2-OXO-1-(2,2,2-TRIFLUOROETHYL)-5-(2,3,6-TRIFLUOROPHENYL)-3-PIPERIDINYL)-2'-OXOSPIRO(6H-CYCLOPENTA(B)PYRIDINE-6,3'-(3H)PYRROLO(2,3-B)PYRIDINE)-3-CARBOXAMIDE

Systematic Name

English

AGN-241689

Code

English

MK-8031

Code

English

Code System Code Type Description

CAS

1374248-81-3

Created by admin on Sat Dec 16 08:44:43 UTC 2023 , Edited by admin on Sat Dec 16 08:44:43 UTC 2023

PRIMARY

PUBCHEM

72163100

Created by admin on Sat Dec 16 08:44:43 UTC 2023 , Edited by admin on Sat Dec 16 08:44:43 UTC 2023

PRIMARY

SMS_ID

300000011223

Created by admin on Sat Dec 16 08:44:43 UTC 2023 , Edited by admin on Sat Dec 16 08:44:43 UTC 2023

PRIMARY

FDA UNII

7CRV8RR151

Created by admin on Sat Dec 16 08:44:43 UTC 2023 , Edited by admin on Sat Dec 16 08:44:43 UTC 2023

PRIMARY

INN

10510

Created by admin on Sat Dec 16 08:44:43 UTC 2023 , Edited by admin on Sat Dec 16 08:44:43 UTC 2023

PRIMARY

DAILYMED

7CRV8RR151

Created by admin on Sat Dec 16 08:44:43 UTC 2023 , Edited by admin on Sat Dec 16 08:44:43 UTC 2023

PRIMARY

USAN

EF-106

Created by admin on Sat Dec 16 08:44:43 UTC 2023 , Edited by admin on Sat Dec 16 08:44:43 UTC 2023

PRIMARY

WIKIPEDIA

Atogepant

Created by admin on Sat Dec 16 08:44:43 UTC 2023 , Edited by admin on Sat Dec 16 08:44:43 UTC 2023

PRIMARY

EPA CompTox

DTXSID901337079

Created by admin on Sat Dec 16 08:44:43 UTC 2023 , Edited by admin on Sat Dec 16 08:44:43 UTC 2023

PRIMARY

NCI_THESAURUS

C167018

Created by admin on Sat Dec 16 08:44:43 UTC 2023 , Edited by admin on Sat Dec 16 08:44:43 UTC 2023

PRIMARY

RXCUI

2571813

Created by admin on Sat Dec 16 08:44:43 UTC 2023 , Edited by admin on Sat Dec 16 08:44:43 UTC 2023

PRIMARY

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CALCITONIN GENE-RELATED PEPTIDE TYPE 1 RECEPTOR

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ATOGEPANT MONOHYDRATE

SALT/SOLVATE -> PARENT

Amount:

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					7CRV8RR151

ATOGEPANT

ACTIVE MOIETY

Comments:

Originator: Merck & Co; Class: Piperidine, Small molecule, Spiro compound; Mechanism of Action: Calcitonin gene-related peptide receptor antagonists; Orphan Drug Status: No; On Fast track: No; New Molecular Entity: Yes; Highest Development Phase: Preclinical for Migraine; Most Recent Events: 09 Jul 2015 Merck enters into an agreement with Allergan for the divestiture of MK 8031, 07 Jul 2015 Merck plans a phase II study for Migraine, 07 Jul 2015 Preclinical development is underway in USA