UBROGEPANT

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H26F3N5O3
Molecular Weight	549.5436
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of UBROGEPANT

Structure Search

SMILES

C[C@@H]1[C@@H](C[C@H](NC(=O)C2=CN=C3C[C@]4(CC3=C2)C(=O)NC5=NC=CC=C45)C(=O)N1CC(F)(F)F)C6=CC=CC=C6

InChI

InChIKey=DDOOFTLHJSMHLN-ZQHRPCGSSA-N

InChI=1S/C29H26F3N5O3/c1-16-20(17-6-3-2-4-7-17)11-22(26(39)37(16)15-29(30,31)32)35-25(38)19-10-18-12-28(13-23(18)34-14-19)21-8-5-9-33-24(21)36-27(28)40/h2-10,14,16,20,22H,11-13,15H2,1H3,(H,35,38)(H,33,36,40)/t16-,20-,22+,28+/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

UBROGEPANT

Official 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-5-PHENYL-1-(2,2,2-TRIFLUOROETHYL)-3-PIPERIDINYL)-2'-OXO-, (3'S)-

Systematic Name

English

Ubrogepant [WHO-DD]

Common Name

English

UBROGEPANT [MI]

Common Name

English

UBROGEPANT ANHYDROUS

Common Name

English

UBRELVY

Brand Name

English

(3'S)-N-((3S,5S,6R)-6-METHYL-2-OXO-5-PHENYL-1-(2,2,2-TRIFLUOROETHYL)PIPERIDIN-3-YL)-2'-OXO-1',2',5,7-TETRAHYDROSPIRO(CYCLOPENTA(B)PYRIDINE-6,3'-PYRROLO(2,3-B)PYRIDINE)-3-CARBOXAMIDE

Systematic Name

English

UBROGEPANT [ORANGE BOOK]

Common Name

English

UBROGEPANT [USAN]

Common Name

English

ubrogepant [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C241

Created by admin on Sat Dec 16 04:53:26 UTC 2023 , Edited by admin on Sat Dec 16 04:53:26 UTC 2023

Code System Code Type Description

DRUG CENTRAL

5361

Created by admin on Sat Dec 16 04:53:26 UTC 2023 , Edited by admin on Sat Dec 16 04:53:26 UTC 2023

PRIMARY

DRUG BANK

DB15328

Created by admin on Sat Dec 16 04:53:26 UTC 2023 , Edited by admin on Sat Dec 16 04:53:26 UTC 2023

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MERCK INDEX

m12216

Created by admin on Sat Dec 16 04:53:26 UTC 2023 , Edited by admin on Sat Dec 16 04:53:26 UTC 2023

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EPA CompTox

DTXSID00160178

Created by admin on Sat Dec 16 04:53:26 UTC 2023 , Edited by admin on Sat Dec 16 04:53:26 UTC 2023

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ChEMBL

CHEMBL2364638

Created by admin on Sat Dec 16 04:53:26 UTC 2023 , Edited by admin on Sat Dec 16 04:53:26 UTC 2023

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FDA UNII

AD0O8X2QJR

Created by admin on Sat Dec 16 04:53:26 UTC 2023 , Edited by admin on Sat Dec 16 04:53:26 UTC 2023

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INN

9803

Created by admin on Sat Dec 16 04:53:26 UTC 2023 , Edited by admin on Sat Dec 16 04:53:26 UTC 2023

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WIKIPEDIA

Ubrogepant

Created by admin on Sat Dec 16 04:53:26 UTC 2023 , Edited by admin on Sat Dec 16 04:53:26 UTC 2023

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PUBCHEM

68748835

Created by admin on Sat Dec 16 04:53:26 UTC 2023 , Edited by admin on Sat Dec 16 04:53:26 UTC 2023

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RXCUI

2268216

Created by admin on Sat Dec 16 04:53:26 UTC 2023 , Edited by admin on Sat Dec 16 04:53:26 UTC 2023

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USAN

ZZ-167

Created by admin on Sat Dec 16 04:53:26 UTC 2023 , Edited by admin on Sat Dec 16 04:53:26 UTC 2023

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CAS

1374248-77-7

Created by admin on Sat Dec 16 04:53:26 UTC 2023 , Edited by admin on Sat Dec 16 04:53:26 UTC 2023

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DAILYMED

AD0O8X2QJR

Created by admin on Sat Dec 16 04:53:26 UTC 2023 , Edited by admin on Sat Dec 16 04:53:26 UTC 2023

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NCI_THESAURUS

C152790

Created by admin on Sat Dec 16 04:53:26 UTC 2023 , Edited by admin on Sat Dec 16 04:53:26 UTC 2023

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SMS_ID

300000011963

Created by admin on Sat Dec 16 04:53:26 UTC 2023 , Edited by admin on Sat Dec 16 04:53:26 UTC 2023

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LACTMED

Ubrogepant

Created by admin on Sat Dec 16 04:53:26 UTC 2023 , Edited by admin on Sat Dec 16 04:53:26 UTC 2023

PRIMARY

ACTIVE MOIETY


					AD0O8X2QJR

SALT/SOLVATE (PARENT)


					PL4X5AE3X4

UBROGEPANT MONOHYDRATE

SALT/SOLVATE (PARENT)


					02S17TLD81

UBROGEPANT TRIHYDRATE