Products for Research Use Only

Iganidipine HCl

CAT: 0013-GTR19209351-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209351-01Size:25 mg
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Description
NKY-722 (Iganidipine hydrochloride) is a calcium channel blocker investigated for glaucoma treatment. Research indicates its potential to lower intraocular pressure, with studies exploring its mechanisms in both in vitro assays and in vivo animal models of ocular hypertension.
CAS Number
117241-46-0
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
C=CCN (CC1) CCN1CC (C) (C) COC (C2=C (C) NC (C) =C (C (OC) =O) C2C3=CC ([N+] ([O-]) =O) =CC=C3) =O.Cl.Cl
Molecular Formula
C28H40Cl2N4O6
Molecular Weight
599.55
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Nky 722

RN given refers to dihydrochloride; RN for parent cpd not available 2/89

CAS Number117241-46-0
PubChem CID164031
IUPAC Name5-O-[2,2-dimethyl-3-(4-prop-2-enylpiperazin-1-yl)propyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;dihydrochloride
Molecular FormulaC28H40Cl2N4O6
Molecular Weight599.5
Topological Polar Surface Area117
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Heavy Atom Count40
Formal Charge0
Complexity974
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OCC(C)(C)CN2CCN(CC2)CC=C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC.Cl.Cl
InChI
InChI=1S/C28H38N4O6.2ClH/c1-7-11-30-12-14-31(15-13-30)17-28(4,5)18-38-27(34)24-20(3)29-19(2)23(26(33)37-6)25(24)21-9-8-10-22(16-21)32(35)36;;/h7-10,16,25,29H,1,11-15,17-18H2,2-6H3;2*1H
InChIKey
PJGTYHKZUAHNHC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nky 722
CAS: 117241-46-0
CID: 164031
Formula: C28H40Cl2N4O6
MW: 599.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight599.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Exact Mass598.2324904
Monoisotopic Mass598.2324904
Topological Polar Surface Area117 Ų
Heavy Atom Count40
Formal Charge0
Complexity974
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes