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Efonidipine hydrochloride monoethanolate

CAT: 0013-GTR19165572-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19165572-01Size:2 mg
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Description
Efonidipine hydrochloride monoethanolate
CAS Number
111011-76-8
Product Name Alternative
Ca channels, Calcium Channel, CalciumChannel, Ca2+ channels, Efonidipine hydrochloride Monoethanolate, Efonidipine hydrochloride monoethanolate, Efonidipine Hydrochloride, Inhibitor, inhibit, NZ 105 Hydrochloride, NZ105 Hydrochloride, NZ-105 Hydrochloride, NZ-105 hydrochloride monoethanolate, NZ-105 hydrochloride Monoethanolate
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Purity
>99.99% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (2.8 mM) ; DMSO:25 mg/mL (35.01 mM)
Smiles
Cl.CCO.CC1=C (C (C (=C (C) N1) P1 (=O) OCC (C) (C) CO1) c1cccc (c1) [N+] ([O-]) =O) C (=O) OCCN (Cc1ccccc1) c1ccccc1
Molecular Formula
C36H45ClN3O8P
Molecular Weight
714.18
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Efonidipine Hydrochloride

See also: Efonidipine (has active moiety).

CAS Number111011-76-8
PubChem CID119170
IUPAC Name2-(N-benzylanilino)ethyl 5-(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate;hydrochloride
Molecular FormulaC34H39ClN3O7P
Molecular Weight668.1
Topological Polar Surface Area123
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Heavy Atom Count46
Formal Charge0
Complexity1170
SMILES
CC1=C(C(C(=C(N1)C)P2(=O)OCC(CO2)(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCN(CC4=CC=CC=C4)C5=CC=CC=C5.Cl
InChI
InChI=1S/C34H38N3O7P.ClH/c1-24-30(33(38)42-19-18-36(28-15-9-6-10-16-28)21-26-12-7-5-8-13-26)31(27-14-11-17-29(20-27)37(39)40)32(25(2)35-24)45(41)43-22-34(3,4)23-44-45;/h5-17,20,31,35H,18-19,21-23H2,1-4H3;1H
InChIKey
OXVTXPCIJDYQIS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Efonidipine Hydrochloride
CAS: 111011-76-8
CID: 119170
Formula: C34H39ClN3O7P
MW: 668.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight668.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Exact Mass667.2214153
Monoisotopic Mass667.2214153
Topological Polar Surface Area123 Ų
Heavy Atom Count46
Formal Charge0
Complexity1170
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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Alternative Products

CatalogName
MBS3600410-01Efonidipine hydrochloride monoethanolate
HY-12502A-01Efonidipine (hydrochloride monoethanolate)
A18030-100Efonidipine hydrochloride monoethanolate 100mg
A18030-25Efonidipine hydrochloride monoethanolate 25mg
A18030-5Efonidipine hydrochloride monoethanolate 5mg
HY-12502AR-01Efonidipine (hydrochloride monoethanolate) (Standard)
A18030-50Efonidipine hydrochloride monoethanolate 50mg
A18030-10Efonidipine hydrochloride monoethanolate 10mg
A18030-10mM-DEfonidipine hydrochloride monoethanolate 10mM * 1mL in DMSO
sc-294464Efonidipine hydrochloride

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