TANOGITRAN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H31N7O3
Molecular Weight	477.5587
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN1C(CNC2=CC=C(C=C2)C(N)=N)=NC3=C1C=CC(=C3)[C@@](C)(NCC(O)=O)C(=O)N4CCCC4

InChI

InChIKey=MAOALPSHCIBFJZ-RUZDIDTESA-N

InChI=1S/C25H31N7O3/c1-25(29-15-22(33)34,24(35)32-11-3-4-12-32)17-7-10-20-19(13-17)30-21(31(20)2)14-28-18-8-5-16(6-9-18)23(26)27/h5-10,13,28-29H,3-4,11-12,14-15H2,1-2H3,(H3,26,27)(H,33,34)/t25-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C25H31N7O3
Molecular Weight	477.5587
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/17410124 | https://www.pharmacodia.com/yaodu/html/v1/chemicals/204477b9397e585b8ef872c6f6dee487.html

Tanogitran (also called as BIBT986) is a dual inhibitor of thrombin/factor Xa. Tanogitran participated in a clinical trial in endotoxin-induced coagulation, where was shown that tanogitran was a potent anticoagulant. In addition, the drug was studied in phase II clinical trial for the treatment of septic shock; however, information about the further development of this drug is not available.

Approval Year

PubMed

Title	Date	PubMed

Patents

Sample Use Guides

In Vivo Use Guide

Participants received one of three doses of BIBT986 or placebo intravenously together with a bolus infusion of 2 ng/kg lipopolysaccharide (LPS).

Route of Administration: Intravenous

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:12:05 GMT 2023` Edited by `admin` on `Sat Dec 16 16:12:05 GMT 2023`
Record UNII	X5QRR6Z56Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TANOGITRAN

Official Name

English

BIBT-986-BS

Code

English

N-((2R)-2-(2-((4-CARBAMIMIDOYLANILINO)METHYL)-1-METHYL-1H-BENZIMIDAZOL-5-YL)-1-OXO-1-(PYRROLIDIN-1-YL)PROPAN-2-YL)GLYCINE

Systematic Name

English

tanogitran [INN]

Common Name

English

BIBT-986

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C263