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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

Approval Year

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