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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H44N4O4S
Molecular Weight 484.696
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SOFIGATRAN

SMILES

CCCOC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NC[C@H]2CC[C@H](N)CC2)C(C)(C)SC(C)C

InChI

InChIKey=MNMZVSQUWOILCZ-MUGJNUQGSA-N
InChI=1S/C24H44N4O4S/c1-6-14-32-23(31)27-20(24(4,5)33-16(2)3)22(30)28-13-7-8-19(28)21(29)26-15-17-9-11-18(25)12-10-17/h16-20H,6-15,25H2,1-5H3,(H,26,29)(H,27,31)/t17-,18-,19-,20-/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H44N4O4S
Molecular Weight 484.696
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Description

Mitsubishi Tanabe Pharma was developing Sofigatran, a thrombin inhibitor, for the treatment of deep vein thrombosis. Sofigatran, is a direct oral thrombin inhibitor with a competitive binding mechanism. It has been assessed in a phase II trial for the treatment of deep vein thrombosis The compound was in phase II clinical trial for the treatment of DVT. Results of this trial have not been published and the clinical development of sofigatran has been discontinued by Mitsubishi Tanabe Pharma in 2007.

Originator

Approval Year

PubMed

Substance Class Chemical
Record UNII
5X6P105U1Y
Record Status Validated (UNII)
Record Version