FLOVAGATRAN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H36BN3O7
Molecular Weight	525.402
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)B(O)O

InChI

InChIKey=PAOGOXGDGABPSC-SGNDLWITSA-N

InChI=1S/C27H36BN3O7/c1-37-17-9-15-24(28(35)36)30-25(32)23-14-8-16-31(23)26(33)22(18-20-10-4-2-5-11-20)29-27(34)38-19-21-12-6-3-7-13-21/h2-7,10-13,22-24,35-36H,8-9,14-19H2,1H3,(H,29,34)(H,30,32)/t22-,23+,24+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H36BN3O7
Molecular Weight	525.402
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/mesh/67532470 | https://www.ncbi.nlm.nih.gov/pubmed/21045018 | https://adisinsight.springer.com/drugs/800020578

FLOVAGATRAN is a potent, reversible, low-molecular-weight, highly selective synthetic direct thrombin inhibitor that has demonstrated promising pharmacokinetic properties and biological activity in preclinical studies. However, its development for thrombosis was discontinued in Phase II.

Originator

Approval Year

PubMed

Title	Date	PubMed
New anticoagulants: focus on venous thromboembolism.	2009 Jul	19601856
New parenteral anticoagulants in development.	2011 Feb	21045018

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:37:24 UTC 2023` Edited by `admin` on `Fri Dec 15 17:37:24 UTC 2023`
Record UNII	2WA50NUH6H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FLOVAGATRAN

Official Name

English

(1R)-1-(N-((BENZYLOXY)CARBONYL)-D-PHENYLALANYL-L-PROLINAMIDO)BUTYLBORONIC ACID

Systematic Name

English

flovagatran [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C29750