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Manidipine 2HCl

CAT: 1568-C16869-50mgSize: 50 mgDry Ice: YesHazardous: No
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CAT#:1568-C16869-50mgSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
89226-75-5
Synonyms
CV-4093
Target
Calcium Channel
Applications
Neuronal Signaling
Smiles
CC1=C (C (C (=C (N1) C) C (=O) OCCN2CCN (CC2) C (C3=CC=CC=C3) C4=CC=CC=C4) C5=CC (=CC=C5) [N+] (=O) [O-]) C (=O) OC.Cl.Cl
Molecular Formula
C35H38N4O6.2HCl
Additionnal Information
Manidipine 2HCl (CV-4093) is a HCl salt form of Manidipine, which is a calcium channel blocker with IC50 of 2.6 nM, used clinically as an antihypertensive. Phase 4.
Storage Conditions
2 years -80 in solvent

Chemical Information

Manidipine dihydrochloride

Manidipine dihydrochloride is a diarylmethane.

CAS Number89226-75-5
PubChem CID150762
IUPAC Name5-O-[2-(4-benzhydrylpiperazin-1-yl)ethyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;dihydrochloride
Molecular FormulaC35H40Cl2N4O6
Molecular Weight683.6
Topological Polar Surface Area117
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Heavy Atom Count47
Formal Charge0
Complexity1090
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC.Cl.Cl
InChI
InChI=1S/C35H38N4O6.2ClH/c1-24-30(34(40)44-3)32(28-15-10-16-29(23-28)39(42)43)31(25(2)36-24)35(41)45-22-21-37-17-19-38(20-18-37)33(26-11-6-4-7-12-26)27-13-8-5-9-14-27;;/h4-16,23,32-33,36H,17-22H2,1-3H3;2*1H
InChIKey
JINNGBXKBDUGQT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Manidipine dihydrochloride
CAS: 89226-75-5
CID: 150762
Formula: C35H40Cl2N4O6
MW: 683.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight683.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Exact Mass682.2324904
Monoisotopic Mass682.2324904
Topological Polar Surface Area117 Ų
Heavy Atom Count47
Formal Charge0
Complexity1090
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

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