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Nicardipine HCl

CAT: 1596-AR-N01365-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-N01365-01Size:10 Units
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CAS Number
54527-84-3
Synonyms
1,4-Dihydro-2,6-dimethyl-4- (3-nitrophenyl) -3,5-pyridinedicarboxylic Acid Methyl 2-[Methyl (phenylmethyl) amino]ethyl Ester Hydrochloride; RS-69216; YC-93; Antagonyl; Barizin; Bionicard; Cardene; Dacarel; Vasonase; Nicardipine Hydrochloride
Molecular Formula
C26H29N3O6. HCl
Molecular Weight
479.54 36.46
API Name
Nicardipine

Chemical Information

Nicardipine Hydrochloride

Nicardipine hydrochloride is a dihydropyridine. It has a role as a geroprotector.

CAS Number54527-84-3
PubChem CID41114
IUPAC Name5-O-[2-[benzyl(methyl)amino]ethyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;hydrochloride
Molecular FormulaC26H30ClN3O6
Molecular Weight516.0
Topological Polar Surface Area114
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count36
Formal Charge0
Complexity856
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OCCN(C)CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC.Cl
InChI
InChI=1S/C26H29N3O6.ClH/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;1H
InChIKey
AIKVCUNQWYTVTO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nicardipine Hydrochloride
CAS: 54527-84-3
CID: 41114
Formula: C26H30ClN3O6
MW: 516.0
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight516.0
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass515.1823134
Monoisotopic Mass515.1823134
Topological Polar Surface Area114 Ų
Heavy Atom Count36
Formal Charge0
Complexity856
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes