Nitrendipine Impurity E

CAT: 1299-RM-N200405-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-N200405-01Size:10 mg

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CAS Number

74936-73-5

Synonyms

5- (ethoxycarbonyl) -2,6-dimethyl-4- (3-nitrophenyl) -1,4-dihydropyridine-3-carboxylic acid

Molecular Formula

C17H18N2O6

Molecular Weight

346.33

Target Alternative Name

Nitrendipine

Product Name Synonym

5- (ethoxycarbonyl) -2,6-dimethyl-4- (3-nitrophenyl) -1,4-dihydropyridine-3-carboxylic acid

Chemical Information

3-Ethyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate

CAS Number	74936-73-5
PubChem CID	4656727
IUPAC Name	5-ethoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid
Molecular Formula	C17H18N2O6
Molecular Weight	346.3
XLogP	2.6
Topological Polar Surface Area	121
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	25
Formal Charge	0
Complexity	646

SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O)C)C

InChI

InChI=1S/C17H18N2O6/c1-4-25-17(22)14-10(3)18-9(2)13(16(20)21)15(14)11-6-5-7-12(8-11)19(23)24/h5-8,15,18H,4H2,1-3H3,(H,20,21)

InChIKey

MPOOHAOWKYTUQT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 74936-73-5

CID: 4656727

Formula: C17H18N2O6

MW: 346.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	346.3
XLogP3	2.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	346.11648630
Monoisotopic Mass	346.11648630
Topological Polar Surface Area	121 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	646
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes