VIBEGRON

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H28N4O3
Molecular Weight	444.5255
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of VIBEGRON

Structure Search

SMILES

[H][C@@]1(CC[C@@H](CC2=CC=C(NC(=O)[C@@H]3CCC4=NC=CC(=O)N34)C=C2)N1)[C@H](O)C5=CC=CC=C5

InChI

InChIKey=DJXRIQMCROIRCZ-XOEOCAAJSA-N

InChI=1S/C26H28N4O3/c31-24-14-15-27-23-13-12-22(30(23)24)26(33)29-19-8-6-17(7-9-19)16-20-10-11-21(28-20)25(32)18-4-2-1-3-5-18/h1-9,14-15,20-22,25,28,32H,10-13,16H2,(H,29,33)/t20-,21+,22-,25+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C26H28N4O3
Molecular Weight	444.5255
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 05:53:46 UTC 2023` Edited by `admin` on `Sat Dec 16 05:53:46 UTC 2023`
Record UNII	M5TSE03W5U
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

VIBEGRON

Official Name

English

GEMTESA

Brand Name

English

(6S)-N-[4-({(2S,5R)-5-[(R)-Hydroxyphenylmethyl]pyrrolidin-2-yl}methyl)phenyl]-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxamide

Systematic Name

English

Vibegron [WHO-DD]

Common Name

English

PYRROLO(1,2-A)PYRIMIDINE-6-CARBOXAMIDE, 4,6,7,8-TETRAHYDRO-N-(4-(((2S,5R)-5-((R)-HYDROXYPHENYLMETHYL)-2-PYRROLIDINYL)METHYL)PHENYL)-4-OXO-, (6S)-

Systematic Name

English

VIBEGRON [USAN]

Common Name

English

KRP-114V

Code

English

(6S)-N-(4-(((2S,5R)-5-((R)-HYDROXY(PHENYL)METHYL)PYRROLIDIN-2-YL(METHYL)PHENYL)-4-OXO-4,6,7,8-TETRAHYDROPYRROLO(1,2-A)PYRIMIDINE-

Common Name

English

VIBEGRON [JAN]

Common Name

English

vibegron [INN]

Common Name

English

VIBEGRON [ORANGE BOOK]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C48149

Created by admin on Sat Dec 16 05:53:46 UTC 2023 , Edited by admin on Sat Dec 16 05:53:46 UTC 2023

Code System Code Type Description

DAILYMED

M5TSE03W5U

Created by admin on Sat Dec 16 05:53:46 UTC 2023 , Edited by admin on Sat Dec 16 05:53:46 UTC 2023

PRIMARY

USAN

ZZ-39

Created by admin on Sat Dec 16 05:53:46 UTC 2023 , Edited by admin on Sat Dec 16 05:53:46 UTC 2023

PRIMARY

EPA CompTox

DTXSID40152299

Created by admin on Sat Dec 16 05:53:46 UTC 2023 , Edited by admin on Sat Dec 16 05:53:46 UTC 2023

PRIMARY

FDA UNII

M5TSE03W5U

Created by admin on Sat Dec 16 05:53:46 UTC 2023 , Edited by admin on Sat Dec 16 05:53:46 UTC 2023

PRIMARY

RXCUI

2472254

Created by admin on Sat Dec 16 05:53:46 UTC 2023 , Edited by admin on Sat Dec 16 05:53:46 UTC 2023

PRIMARY

DRUG BANK

DB14895

Created by admin on Sat Dec 16 05:53:46 UTC 2023 , Edited by admin on Sat Dec 16 05:53:46 UTC 2023

PRIMARY

ChEMBL

CHEMBL2107826

Created by admin on Sat Dec 16 05:53:46 UTC 2023 , Edited by admin on Sat Dec 16 05:53:46 UTC 2023

PRIMARY

SMS_ID

100000174857

Created by admin on Sat Dec 16 05:53:46 UTC 2023 , Edited by admin on Sat Dec 16 05:53:46 UTC 2023

PRIMARY

INN

9676

Created by admin on Sat Dec 16 05:53:46 UTC 2023 , Edited by admin on Sat Dec 16 05:53:46 UTC 2023

PRIMARY

DRUG CENTRAL

5311

Created by admin on Sat Dec 16 05:53:46 UTC 2023 , Edited by admin on Sat Dec 16 05:53:46 UTC 2023

PRIMARY

CAS

1190389-15-1

Created by admin on Sat Dec 16 05:53:46 UTC 2023 , Edited by admin on Sat Dec 16 05:53:46 UTC 2023

PRIMARY

CHEBI

142418

Created by admin on Sat Dec 16 05:53:46 UTC 2023 , Edited by admin on Sat Dec 16 05:53:46 UTC 2023

PRIMARY

NCI_THESAURUS

C152872

Created by admin on Sat Dec 16 05:53:46 UTC 2023 , Edited by admin on Sat Dec 16 05:53:46 UTC 2023

PRIMARY

WIKIPEDIA

Vibegron

Created by admin on Sat Dec 16 05:53:46 UTC 2023 , Edited by admin on Sat Dec 16 05:53:46 UTC 2023

PRIMARY

PUBCHEM

44472635

Created by admin on Sat Dec 16 05:53:46 UTC 2023 , Edited by admin on Sat Dec 16 05:53:46 UTC 2023

PRIMARY

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Qualification:

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EXCRETED UNCHANGED

Qualification:

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VIBEGRON

ACTIVE MOIETY

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Tmax	PHARMACOKINETIC		`M5TSE03W5U` VIBEGRON

Volume of Distribution	PHARMACOKINETIC		`M5TSE03W5U` VIBEGRON

blood-to-plasma ratio	PHARMACOKINETIC		`M5TSE03W5U` VIBEGRON

Biological Half-life	PHARMACOKINETIC		`M5TSE03W5U` VIBEGRON