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Niguldipine hydrochloride

CAT: 0013-GTR19196942-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196942-01Size:25 mg
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Description
Niguldipine is a dihydropyridine calcium channel blocker that also exhibits high affinity for a specific subtype of alpha-1 adrenoceptors. This dual activity makes it a useful pharmacological tool for studying cardiovascular physiology, receptor interactions, and vascular smooth muscle contraction in both in vitro and in vivo experimental models.
CAS Number
134886-09-2
Smiles
COC (C1=C (NC (C) =C (C (OCCCN2CCC (C3=CC=CC=C3) (C4=CC=CC=C4) CC2) =O) [C@H]1C5=CC=CC ([N+] ([O-]) =O) =C5) C) =O.Cl
Molecular Formula
C36H40ClN3O6
Molecular Weight
646.18
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Niguldipine hydrochloride, (+/-)-
CAS Number134886-09-2
PubChem CID357904
IUPAC Name5-O-[3-(4,4-diphenylpiperidin-1-yl)propyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;hydrochloride
Molecular FormulaC36H40ClN3O6
Molecular Weight646.2
Topological Polar Surface Area114
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Heavy Atom Count46
Formal Charge0
Complexity1100
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OCCCN2CCC(CC2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC.Cl
InChI
InChI=1S/C36H39N3O6.ClH/c1-25-31(34(40)44-3)33(27-12-10-17-30(24-27)39(42)43)32(26(2)37-25)35(41)45-23-11-20-38-21-18-36(19-22-38,28-13-6-4-7-14-28)29-15-8-5-9-16-29;/h4-10,12-17,24,33,37H,11,18-23H2,1-3H3;1H
InChIKey
MHOSUIMBPQVOEU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Niguldipine hydrochloride, (+/-)-
CAS: 134886-09-2
CID: 357904
Formula: C36H40ClN3O6
MW: 646.2
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight646.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Exact Mass645.2605637
Monoisotopic Mass645.2605637
Topological Polar Surface Area114 Ų
Heavy Atom Count46
Formal Charge0
Complexity1100
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

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