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Nicardipine Impurity 51

CAT: 1299-RM-N200451-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-N200451-01Size:10 mg
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CAS Number
167963-66-8
Synonyms
5- ((2-cyanoethoxy) carbonyl) -2,6-dimethyl-4- (3-nitrophenyl) -1,4-dihydropyridine-3-carboxylic acid
Molecular Formula
C18H17N3O6
Molecular Weight
371.35
Target Alternative Name
Nicardipine
Product Name Synonym
5- ((2-cyanoethoxy) carbonyl) -2,6-dimethyl-4- (3-nitrophenyl) -1,4-dihydropyridine-3-carboxylic acid

Chemical Information

Nicardipine Impurity 19
CAS Number167963-66-8
PubChem CID10429284
IUPAC Name5-(2-cyanoethoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid
Molecular FormulaC18H17N3O6
Molecular Weight371.3
XLogP1.9
Topological Polar Surface Area145
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity755
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OCCC#N)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C18H17N3O6/c1-10-14(17(22)23)16(12-5-3-6-13(9-12)21(25)26)15(11(2)20-10)18(24)27-8-4-7-19/h3,5-6,9,16,20H,4,8H2,1-2H3,(H,22,23)
InChIKey
JGSOCIANHCGTJV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nicardipine Impurity 19
CAS: 167963-66-8
CID: 10429284
Formula: C18H17N3O6
MW: 371.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight371.3
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass371.11173527
Monoisotopic Mass371.11173527
Topological Polar Surface Area145 Ų
Heavy Atom Count27
Formal Charge0
Complexity755
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CS-O-48999Di-Nitroso Nicardipine impurity 2
CS-O-48998Di-Nitroso Nicardipine impurity 1
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