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Dabigatran Impurity p

CAS No.:
1408238-37-8
Catalog Number:
AG009WOQ
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG009WOQ
Chemical Name:
Dabigatran Impurity p
CAS Number:
1408238-37-8
IUPAC Name:
3-[[2-[[4-(hexoxycarbonylcarbamoyl)anilino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoic acid
InChI:
InChI=1S/C32H36N6O6/c1-3-4-5-8-19-44-32(43)36-30(41)22-10-13-24(14-11-22)34-21-28-35-25-20-23(12-15-26(25)37(28)2)31(42)38(18-16-29(39)40)27-9-6-7-17-33-27/h6-7,9-15,17,20,34H,3-5,8,16,18-19,21H2,1-2H3,(H,39,40)(H,36,41,43)
InChI Key:
GYSMJNALQPNLBO-UHFFFAOYSA-N
Properties
Complexity:
960  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
600.27g/mol
Formal Charge:
0
Heavy Atom Count:
44  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
600.676g/mol
Monoisotopic Mass:
600.27g/mol
Rotatable Bond Count:
15  
Topological Polar Surface Area:
156A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  
Properties