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Details

Stereochemistry ACHIRAL
Molecular Formula C22H21N7O
Molecular Weight 399.4484
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1H-BENZIMIDAZOLE-5-CARBOXAMIDE, 2-(((4-(AMINOIMINOMETHYL)PHENYL)AMINO)METHYL)-1-METHYL-N-2-PYRIDINYL-

SMILES

CN1C(CNC2=CC=C(C=C2)C(N)=N)=NC3=C1C=CC(=C3)C(=O)NC4=NC=CC=C4

InChI

InChIKey=PCUHMXXHLDGABI-UHFFFAOYSA-N
InChI=1S/C22H21N7O/c1-29-18-10-7-15(22(30)28-19-4-2-3-11-25-19)12-17(18)27-20(29)13-26-16-8-5-14(6-9-16)21(23)24/h2-12,26H,13H2,1H3,(H3,23,24)(H,25,28,30)

HIDE SMILES / InChI

Molecular Formula C22H21N7O
Molecular Weight 399.4484
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 Thu Jul 06 22:20:37 UTC 2023
Edited
by admin
on Thu Jul 06 22:20:37 UTC 2023
Record UNII
L3MH0FF4YN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1H-BENZIMIDAZOLE-5-CARBOXAMIDE, 2-(((4-(AMINOIMINOMETHYL)PHENYL)AMINO)METHYL)-1-METHYL-N-2-PYRIDINYL-
Systematic Name English
DABIGATRAN METABOLITE M400
Common Name English
Code System Code Type Description
FDA UNII
L3MH0FF4YN
Created by admin on Thu Jul 06 22:20:38 UTC 2023 , Edited by admin on Thu Jul 06 22:20:38 UTC 2023
PRIMARY
CAS
1015167-33-5
Created by admin on Thu Jul 06 22:20:38 UTC 2023 , Edited by admin on Thu Jul 06 22:20:38 UTC 2023
PRIMARY
PUBCHEM
141348660
Created by admin on Thu Jul 06 22:20:38 UTC 2023 , Edited by admin on Thu Jul 06 22:20:38 UTC 2023
PRIMARY
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