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N-Nitroso Dabigatran Etexilate

CAT: 1459-CS-O-38916-10MGSize: 1 EachDry Ice: NoHazardous: No
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Description
N-Nitroso Dabigatran Etexilate is listed under Nitrosamine and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Dabigatran. The product is supplied by Clearsynth under CAT No. CS-O-38916-10MG. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
2892260-29-4
Synonyms
N-Nitroso Dabigatran Etexilate
Molecular Formula
C 34 H 40 N 8 O 6
Molecular Weight
656.53
Additionnal Information
N-Nitroso Dabigatran Etexilate is supplied with detailed characterization data compliant with regulatory guideline. N-Nitroso Dabigatran Etexilate can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Dabigatran.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for accurate information.

Chemical Information

ethyl 3-((2-((4-(N-hexoxycarbonylcarbamimidoyl)-N-nitrosoanilino)methyl)-1-methylbenzimidazole-5-carbonyl)-pyridin-2-ylamino)propanoate
CAS Number2892260-29-4
PubChem CID168444970
IUPAC Nameethyl 3-[[2-[[4-(N-hexoxycarbonylcarbamimidoyl)-N-nitrosoanilino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate
Molecular FormulaC34H40N8O6
Molecular Weight656.7
XLogP5.2
Topological Polar Surface Area172
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count18
Heavy Atom Count48
Formal Charge0
Complexity1070
SMILES
CCCCCCOC(=O)NC(=N)C1=CC=C(C=C1)N(CC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4)N=O
InChI
InChI=1S/C34H40N8O6/c1-4-6-7-10-21-48-34(45)38-32(35)24-12-15-26(16-13-24)42(39-46)23-30-37-27-22-25(14-17-28(27)40(30)3)33(44)41(20-18-31(43)47-5-2)29-11-8-9-19-36-29/h8-9,11-17,19,22H,4-7,10,18,20-21,23H2,1-3H3,(H2,35,38,45)
InChIKey
JPLPQAOOSCQYBH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of ethyl 3-((2-((4-(N-hexoxycarbonylcarbamimidoyl)-N-nitrosoanilino)methyl)-1-methylbenzimidazole-5-carbonyl)-pyridin-2-ylamino)propanoate
CAS: 2892260-29-4
CID: 168444970
Formula: C34H40N8O6
MW: 656.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight656.7
XLogP35.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count18
Exact Mass656.30708103
Monoisotopic Mass656.30708103
Topological Polar Surface Area172 Ų
Heavy Atom Count48
Formal Charge0
Complexity1070
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
AR-D06087-01N-Nitroso Dabigatran Etexilate
TRC-N405550-50MGN-Nitroso Dabigatran Etexilate Mesylate
AR-D06171-01N-Nitroso Dabigatran Etexilate-13C6
TRC-N374985-100MGN-Nitroso-Desiminomethyl Carbonyl Dabigatran Etexilate
AR-D06216-01N-Nitroso Dabigatran Etexilate-13C-d3
RM-D020870-01Dabigatran Etexilate Nitroso Impurity 170
RM-D020864-01Dabigatran Etexilate Nitroso Impurity 164
AR-D06215-01N-Nitroso Dabigatran Etexilate USP Related Compound A
AR-D01006-01Dabigatran Etexilate N-Oxide
RM-D020714-01Dabigatran Etexilate Impurity N

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