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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 of FLOVAGATRAN

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

Description

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