PRT-054156

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H20ClN5O3
Molecular Weight	437.879
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CNC(=N)C1=CC=C(C=C1)C(=O)NC2=C(C=C(OC)C=C2)C(=O)NC3=NC=C(Cl)C=C3

InChI

InChIKey=WPIREPCQDPQVJB-UHFFFAOYSA-N

InChI=1S/C22H20ClN5O3/c1-25-20(24)13-3-5-14(6-4-13)21(29)27-18-9-8-16(31-2)11-17(18)22(30)28-19-10-7-15(23)12-26-19/h3-12H,1-2H3,(H2,24,25)(H,27,29)(H,26,28,30)

HIDE SMILES / InChI

Molecular Formula	C22H20ClN5O3
Molecular Weight	437.879
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 13:54:18 GMT 2023` Edited by `admin` on `Sat Dec 16 13:54:18 GMT 2023`
Record UNII	P4V8YJ0A0N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PRT-054156

Code

English

N-(5-CHLORO-2-PYRIDINYL)-2-((4-(IMINO(METHYLAMINO)METHYL)BENZOYL)AMINO)-5-METHOXYBENZAMIDE

Systematic Name

English

N-DESMETHYL BETRIXABAN

Common Name

English

BENZAMIDE, N-(5-CHLORO-2-PYRIDINYL)-2-((4-(IMINO(METHYLAMINO)METHYL)BENZOYL)AMINO)-5-METHOXY-

Systematic Name

English

PRT054156

Code

English

Code System Code Type Description

FDA UNII

P4V8YJ0A0N

Created by admin on Sat Dec 16 13:54:18 GMT 2023 , Edited by admin on Sat Dec 16 13:54:18 GMT 2023

PRIMARY

CAS

330942-04-6

Created by admin on Sat Dec 16 13:54:18 GMT 2023 , Edited by admin on Sat Dec 16 13:54:18 GMT 2023

PRIMARY

PUBCHEM

22596429

Created by admin on Sat Dec 16 13:54:18 GMT 2023 , Edited by admin on Sat Dec 16 13:54:18 GMT 2023

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Related Record Type Details


					74RWP7W0J9

BETRIXABAN

PARENT -> METABOLITE ACTIVE

Interaction Type:

INHIBITOR

Qualification:

IC50

Amount: