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

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H25N5O8
Molecular Weight 499.4733
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-D-GLUCOPYRANURONIC ACID, 1-(2-(((4-(AMINOIMINOMETHYL)PHENYL)AMINO)METHYL)-1-METHYL-1H-BENZIMIDAZOLE-5-CARBOXYLATE)

SMILES

CN1C(CNC2=CC=C(C=C2)C(N)=N)=NC3=C1C=CC(=C3)C(=O)O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O

InChI

InChIKey=GQOGBHBGKZPIIP-ZFXLNCEJSA-N
InChI=1S/C23H25N5O8/c1-28-14-7-4-11(22(34)36-23-18(31)16(29)17(30)19(35-23)21(32)33)8-13(14)27-15(28)9-26-12-5-2-10(3-6-12)20(24)25/h2-8,16-19,23,26,29-31H,9H2,1H3,(H3,24,25)(H,32,33)/t16-,17-,18+,19-,23-/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H25N5O8
Molecular Weight 499.4733
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:38:41 GMT 2023
Edited
by admin
on Sat Dec 16 16:38:41 GMT 2023
Record UNII
B46PBR8M8E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-D-GLUCOPYRANURONIC ACID, 1-(2-(((4-(AMINOIMINOMETHYL)PHENYL)AMINO)METHYL)-1-METHYL-1H-BENZIMIDAZOLE-5-CARBOXYLATE)
Systematic Name English
DABIGATRAN METABOLITE M500
Common Name English
Code System Code Type Description
FDA UNII
B46PBR8M8E
Created by admin on Sat Dec 16 16:38:41 GMT 2023 , Edited by admin on Sat Dec 16 16:38:41 GMT 2023
PRIMARY
CAS
1015167-36-8
Created by admin on Sat Dec 16 16:38:41 GMT 2023 , Edited by admin on Sat Dec 16 16:38:41 GMT 2023
PRIMARY
PUBCHEM
146675110
Created by admin on Sat Dec 16 16:38:41 GMT 2023 , Edited by admin on Sat Dec 16 16:38:41 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
after p.o. administration of 200 mg of 14C dabigatran etexilate in healthy volunteers
TRACE AMOUNT
PLASMA; URINE
PARENT -> METABOLITE
after p.o. administration of 200 mg of 14C dabigatran etexilate in healthy volunteers
TRACE AMOUNT
PLASMA; URINE