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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 of PRT-054156

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
  • Download
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
PRIMARY
Related Record Type Details
PARENT -> METABOLITE ACTIVE
INHIBITOR
IC50