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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H25N5O8
Molecular Weight 499.4742
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

Cn1c2ccc(cc2nc1CNc3ccc(cc3)C(=N)N)C(=O)O[C@@]4([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O)O4)O)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 499.4742
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 Jun 26 12:31:53 UTC 2021
Edited
by admin
on Sat Jun 26 12:31:53 UTC 2021
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 Jun 26 12:31:54 UTC 2021 , Edited by admin on Sat Jun 26 12:31:54 UTC 2021
PRIMARY
CAS
1015167-36-8
Created by admin on Sat Jun 26 12:31:54 UTC 2021 , Edited by admin on Sat Jun 26 12:31:54 UTC 2021
PRIMARY
PUBCHEM
146675110
Created by admin on Sat Jun 26 12:31:54 UTC 2021 , Edited by admin on Sat Jun 26 12:31:54 UTC 2021
PRIMARY
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