AG00ANAD

Name: (E)-Hexyl (amino(4-(((5-((3-amino-3-oxopropyl)(pyridin-2-yl)carbamoyl)-1-methyl-1H-benzo[d]imidazol-2-yl)methyl)amino)phenyl)methylene)carbamate (Dabigatran Impurity）
Brand: Angene Chemical
SKU: AG00ANAD

1580491-16-2 | (E)-Hexyl (amino(4-(((5-((3-amino-3-oxopropyl)(pyridin-2-yl)carbamoyl)-1-methyl-1H-benzo[d]imidazol-2-yl)methyl)amino)phenyl)methylene)carbamate (Dabigatran Impurity）

Chemical structure of (E)-Hexyl (amino(4-(((5-((3-amino-3-oxopropyl)(pyridin-2-yl)carbamoyl)-1-methyl-1H-benzo[d]imidazol-2-yl)methyl)amino)phenyl)methylene)carbamate (Dabigatran Impurity）, CAS 1580491-16-2

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CAS Number	1580491-16-2
Catalog Number	AG00ANAD(AGN-PC-0WP0N7)
Chemical Name	(E)-Hexyl (amino(4-(((5-((3-amino-3-oxopropyl)(pyridin-2-yl)carbamoyl)-1-methyl-1H-benzo[d]imidazol-2-yl)methyl)amino)phenyl)methylene)carbamate (Dabigatran Impurity）
IUPAC Name	hexyl N-[amino-[4-[[5-[(3-amino-3-oxopropyl)-pyridin-2-ylcarbamoyl]-1-methylbenzimidazol-2-yl]methylamino]phenyl]methylidene]carbamate
InChI	InChI=1S/C32H38N8O4/c1-3-4-5-8-19-44-32(43)38-30(34)22-10-13-24(14-11-22)36-21-29-37-25-20-23(12-15-26(25)39(29)2)31(42)40(18-16-27(33)41)28-9-6-7-17-35-28/h6-7,9-15,17,20,36H,3-5,8,16,18-19,21H2,1-2H3,(H2,33,41)(H2,34,38,43)
InChI Key	QQTDTILRFNZOGU-UHFFFAOYSA-N
MDL Number	MFCD19706907
Molecular Formula	C32H38N8O4
Molecular Weight	598.6953
SMILES	NC(CCN(C(=O)C1=CC2=C(N(C(=N2)CNC2=CC=C(C=C2)C(=N)NC(OCCCCCC)=O)C)C=C1)C1=NC=CC=C1)=O
Synonyms	ACN-027491, (Z)-hexyl amino(4-((5-((3-amino-3-oxopropyl)(pyridin-2-yl)carbamoyl)-1-methyl-1H-benzo[d]imidazol-2-yl)methylamino)phenyl)methylenecarbamate, 1580491-16-2, Dabigatran impurity H, na,

Complexity	972
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	598.302g/mol
Formal Charge	0
Heavy Atom Count	44
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	598.708g/mol
Monoisotopic Mass	598.302g/mol
Rotatable Bond Count	15
Topological Polar Surface Area	171A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	1
XLogP3	4.3

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

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Reviewed by:Jessie

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Angene International Limited