U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C22H21N7O
Molecular Weight 399.4493
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

Cn1c2ccc(cc2nc1CNc3ccc(cc3)C(=N)N)C(=Nc4ccccn4)O

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 399.4493
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 Jun 26 06:03:25 UTC 2021
Edited
by admin
on Sat Jun 26 06:03:25 UTC 2021
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 Sat Jun 26 06:03:25 UTC 2021 , Edited by admin on Sat Jun 26 06:03:25 UTC 2021
PRIMARY
CAS
1015167-33-5
Created by admin on Sat Jun 26 06:03:25 UTC 2021 , Edited by admin on Sat Jun 26 06:03:25 UTC 2021
PRIMARY
PUBCHEM
141348660
Created by admin on Sat Jun 26 06:03:25 UTC 2021 , Edited by admin on Sat Jun 26 06:03:25 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
after p.o. administration of 200 mg of 14C dabigatran etexilate in healthy volunteers
URINE
PARENT -> METABOLITE
after p.o. administration of 200 mg of 14C dabigatran etexilate in healthy volunteers
URINE
PARENT -> METABOLITE
after p.o. administration of 200 mg of 14C dabigatran etexilate in healthy volunteers
FECAL
PARENT -> METABOLITE
after p.o. administration of 200 mg of 14C dabigatran etexilate in healthy volunteers
FECAL