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Nicardipine Impurity 46

CAT: 1299-RM-N200446-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-N200446-01Size:10 mg
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CAS Number
2724510-66-9
Synonyms
N-benzyl-2- ((5- (methoxycarbonyl) -2,6-dimethyl-4- (3-nitrophenyl) -1,4-dihydropyridine-3-carbonyl) oxy) -N-methylethan-1-amine oxide
Molecular Formula
C26H29N3O7
Molecular Weight
495.53
Target Alternative Name
Nicardipine
Product Name Synonym
N-benzyl-2- ((5- (methoxycarbonyl) -2,6-dimethyl-4- (3-nitrophenyl) -1,4-dihydropyridine-3-carbonyl) oxy) -N-methylethan-1-amine oxide

Chemical Information

Nicardipine N-Oxide
CAS Number2724510-66-9
PubChem CID129318587
IUPAC NameN-benzyl-2-[5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonyl]oxy-N-methylethanamine oxide
Molecular FormulaC26H29N3O7
Molecular Weight495.5
XLogP3.3
Topological Polar Surface Area129
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count36
Formal Charge0
Complexity904
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OCC[N+](C)(CC2=CC=CC=C2)[O-])C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC
InChI
InChI=1S/C26H29N3O7/c1-17-22(25(30)35-4)24(20-11-8-12-21(15-20)28(32)33)23(18(2)27-17)26(31)36-14-13-29(3,34)16-19-9-6-5-7-10-19/h5-12,15,24,27H,13-14,16H2,1-4H3
InChIKey
JPVQZRYGWSPTRI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nicardipine N-Oxide
CAS: 2724510-66-9
CID: 129318587
Formula: C26H29N3O7
MW: 495.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight495.5
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass495.20055027
Monoisotopic Mass495.20055027
Topological Polar Surface Area129 Ų
Heavy Atom Count36
Formal Charge0
Complexity904
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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