Dabigatran Etexilate Impurity 2

CAT: 1299-RM-D020731-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-D020731-01Size:10 mg

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CAS Number

333350-60-0

Synonyms

4-methoxy-N-methyl-3-nitrobenzamide

Molecular Formula

C9H10N2O4

Molecular Weight

210.19

Target Alternative Name

Dabigatran

Product Name Synonym

4-methoxy-N-methyl-3-nitrobenzamide

Chemical Information

4-Methoxy-N-methyl-3-nitrobenzamide

CAS Number	333350-60-0
PubChem CID	786944
IUPAC Name	4-methoxy-N-methyl-3-nitrobenzamide
Molecular Formula	C9H10N2O4
Molecular Weight	210.19
XLogP	1
Topological Polar Surface Area	84.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	251

SMILES

CNC(=O)C1=CC(=C(C=C1)OC)[N+](=O)[O-]

InChI

InChI=1S/C9H10N2O4/c1-10-9(12)6-3-4-8(15-2)7(5-6)11(13)14/h3-5H,1-2H3,(H,10,12)

InChIKey

SUAZPYJJKLOXQK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 333350-60-0

CID: 786944

Formula: C9H10N2O4

MW: 210.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	210.19
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	210.06405680
Monoisotopic Mass	210.06405680
Topological Polar Surface Area	84.2 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	251
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-D020741-01	Dabigatran Etexilate Impurity 12
RM-D020816-01	Dabigatran Etexilate Impurity 116
RM-D020808-01	Dabigatran Etexilate Impurity 108
RM-D020830-01	Dabigatran Etexilate Impurity 130
RM-D020855-01	Dabigatran Etexilate Impurity 155
RM-D020854-01	Dabigatran Etexilate Impurity 154
RM-D020856-01	Dabigatran Etexilate Impurity 156
RM-D020734-01	Dabigatran Etexilate Impurity 5
RM-D020730-01	Dabigatran Etexilate Impurity 1
RM-D020753-01	Dabigatran Etexilate Impurity 23

Catalog	Name
AR-D01046-01	Dabigatran Etexilate Impurity 7
AR-D06206-01	Dabigatran Etexilate Impurity 9
AR-D01022-01	Dabigatran Etexilate Impurity 1
AR-D01047-01	Dabigatran Etexilate Impurity 8
AR-D01026-01	Dabigatran Etexilate Impurity 5
AR-D01023-01	Dabigatran Etexilate Impurity 2
AR-D01045-01	Dabigatran Etexilate Impurity 6
AR-D01024-01	Dabigatran Etexilate Impurity 3
OR1024660-01	Dabigatran Etexilate Impurity 73 Hydrochloride
CS-O-51184	N-Nitroso Dabigatran Etexilate Impurity 1