Cilnidipine 100mg

CAT: 0628-A10215-100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0628-A10215-100Size:100 mg

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CAS Number

132203-70-4

Chemical Information

Cilnidipine

Cilnidipine is a diesterified 1,4-dihydropyridine-3,5-dicarboxylic acid. A calcium channel blocker, it is used as an antihypertensive. It has a role as a cardiovascular drug, an antihypertensive agent and a calcium channel blocker. It is a 2-methoxyethyl ester, a C-nitro compound and a dihydropyridine.

CAS Number	132203-70-4
PubChem CID	5282138
IUPAC Name	3-O-(2-methoxyethyl) 5-O-[(E)-3-phenylprop-2-enyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Molecular Formula	C27H28N2O7
Molecular Weight	492.5
XLogP	4.4
Topological Polar Surface Area	120
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	11
Heavy Atom Count	36
Formal Charge	0
Complexity	896

SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC/C=C/C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCOC

InChI

InChI=1S/C27H28N2O7/c1-18-23(26(30)35-14-8-11-20-9-5-4-6-10-20)25(21-12-7-13-22(17-21)29(32)33)24(19(2)28-18)27(31)36-16-15-34-3/h4-13,17,25,28H,14-16H2,1-3H3/b11-8+

InChIKey

KJEBULYHNRNJTE-DHZHZOJOSA-N

Chemical Structure

2D Structure

CAS: 132203-70-4

CID: 5282138

Formula: C27H28N2O7

MW: 492.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	492.5
XLogP3	4.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	11
Exact Mass	492.18965124
Monoisotopic Mass	492.18965124
Topological Polar Surface Area	120 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	896
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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A1447-5.1	Cilnidipine

Cilnidipine 100mg

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