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(S) - (+) -Niguldipine hydrochloride

CAT: 0013-GTR19200874-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19200874-01Size:1 mg
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Description
(S) - (+) -Niguldipine hydrochloride is a selective α1A-adrenoceptor antagonist employed in neuroscience research. It is utilized in studies investigating depression and epilepsy, with applications in both in vitro receptor binding assays and in vivo animal models of these neurological conditions.
CAS Number
113145-69-0
Product Name Alternative
Niguldipine Hydrochloride, Adrenergic Receptor, AdrenergicReceptor, (S) (+) Niguldipine hydrochloride, (S) (+) Niguldipine hydrochloride, α1-adrenergic receptor
Field of Research
Metabolism Research, Neuroscience, Pharmacology & Drug Discovery
Purity
98.06% (May vary between batches)
Solubility
DMSO:<64.62 mg/mL; Ethanol:<64.62 mg/mL
Smiles
C (CCOC (=O) C=1[C@H] (C (C (OC) =O) =C (C) NC1C) C2=CC (N (=O) =O) =CC=C2) N3CCC (CC3) (C4=CC=CC=C4) C5=CC=CC=C5.Cl
Molecular Formula
C36H40ClN3O6
Molecular Weight
646.17
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Niguldipine hydrochloride
CAS Number113145-69-0
PubChem CID16219720
IUPAC Name5-O-[3-(4,4-diphenylpiperidin-1-yl)propyl] 3-O-methyl (4S)-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@@H](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/t33-;/m0./s1
InChIKey
MHOSUIMBPQVOEU-WAQYZQTGSA-N
Chemical Structure
2D Structure
2D structure of Niguldipine hydrochloride
CAS: 113145-69-0
CID: 16219720
Formula: C36H40ClN3O6
MW: 646.2
Interactive 3D Structure
Loading 3D structure...
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 Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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