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Nicardipine Impurity 64

CAT: 1299-RM-N200464-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-N200464-01Size:10 mg
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CAS Number
76093-35-1
Synonyms
3- (2- (benzyl (methyl) amino) ethyl) 5-methyl (R) -2,6-dimethyl-4- (3-nitrophenyl) -1,4-dihydropyridine-3,5-dicarboxylate
Molecular Formula
C26H29N3O6
Molecular Weight
479.53
Target Alternative Name
Nicardipine
Product Name Synonym
3- (2- (benzyl (methyl) amino) ethyl) 5-methyl (R) -2,6-dimethyl-4- (3-nitrophenyl) -1,4-dihydropyridine-3,5-dicarboxylate

Chemical Information

(+)-Nicardipine

(R)-nicardipine is the R-enantiomer of nicardipine. It has a role as an antihypertensive agent and a calcium channel blocker. It is an enantiomer of a (S)-nicardipine.

CAS Number76093-35-1
PubChem CID6603948
IUPAC Name5-O-[2-[benzyl(methyl)amino]ethyl] 3-O-methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Molecular FormulaC26H29N3O6
Molecular Weight479.5
XLogP3.8
Topological Polar Surface Area114
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count35
Formal Charge0
Complexity856
SMILES
CC1=C([C@H](C(=C(N1)C)C(=O)OCCN(C)CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC
InChI
InChI=1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,24,27H,13-14,16H2,1-4H3/t24-/m1/s1
InChIKey
ZBBHBTPTTSWHBA-XMMPIXPASA-N
Chemical Structure
2D Structure
2D structure of (+)-Nicardipine
CAS: 76093-35-1
CID: 6603948
Formula: C26H29N3O6
MW: 479.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight479.5
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass479.20563565
Monoisotopic Mass479.20563565
Topological Polar Surface Area114 Ų
Heavy Atom Count35
Formal Charge0
Complexity856
Isotope Atom Count0
Defined Atom Stereocenter Count1
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-N01374-01Nicardipine diisobutyl impurity
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AR-N01377-01Nicardipine Impurity 1-d6
AR-N01376-01Nicardipine EP Impurity B DiHCl
CS-O-48999Di-Nitroso Nicardipine impurity 2
CS-O-48998Di-Nitroso Nicardipine impurity 1
CS-O-42163Nicardipine N-Desbenzyl N-Nitroso Impurity
AR-N08141-01N-Nitroso N-Desbenzyl Nicardipine Impurity
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