CAS No.75695-93-1,Isradipine Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	75695-93-1
Name:	Isradipine
Article Data:	3
Cas Database

Formula:	C₁₉H₂₁N₃O₅
Molecular Weight:	371.393
Synonyms:	3,5-Pyridinedicarboxylicacid, 4-(2,1,3-benzoxadiazol-4-yl)-1,4-dihydro-2,6-dimethyl-, methyl1-methylethyl ester (9CI);3,5-Pyridinedicarboxylic acid,4-(4-benzofurazanyl)-1,4-dihydro-2,6-dimethyl-, methyl 1-methylethyl ester;Clivoten;DynaCirc;DynaCire;DynaCire CR;Dynacrine;Esradin;Isradipin;Isradipine;Isrodipine;Lomir;PN 200;PN 200-110;Prescal;Rebriden;
EINECS:	630-420-5
Density:	1.249 g/cm³
Melting Point:	166-1680C
Boiling Point:	501.9 °C at 760 mmHg
Flash Point:	257.4 °C
Appearance:	yellow solid
Safety:	22-24/25
PSA:	103.55000
LogP:	2.91100

Synthetic route

: 104785-90-2
2-acetyl-3-benzofurazan-4-yl-acrylic acid methyl ester

: 40100-28-5
isopropyl 3-aminocrotonate

: 75695-93-1
isradipine

Conditions

Conditions	Yield
In ethanol at 25 - 28℃; for 5 - 7h;

: 75695-93-1
isradipine

A: [3H]-(+)-Isradipine

B: (-)-Isradipine

Conditions

Conditions	Yield
With α1-acid glycoprotein HPLC column resolution of racemate;

: 75695-93-1
isradipine

: C4H9N2O2*ClH

: 4-benzo[1,2,5]oxadiazol-4-yl-2,6-dimethyl-pyridine-3,5-dicarboxylic acid 3-isopropyl ester 5-methyl ester

Conditions

Conditions	Yield
With Britton-Robinson buffer In water; N,N-dimethyl-formamide at 37℃; pH=7.4; Kinetics;

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Specification

The 3,5-Pyridinedicarboxylicacid, 4-(2,1,3-benzoxadiazol-4-yl)-1,4-dihydro-2,6-dimethyl-, 3-methyl5-(1-methylethyl) ester, with its CAS registry number 75695-93-1, has the IUPAC name of 3-O-methyl 5-O-propan-2-yl4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate. For being a kind of yellow solid, its product categories are including Intermediates & Fine Chemicals; Pharmaceuticals; Calcium channel; Ion Channels. As to its usage, it is usually applied as the CCB, with the function of depressurization, and being antianginal and antiarterial hardness. When comes to its production method, this chemical could be produced from the condensation of benzofuzazan-4-methanal, methyl 3-aminobutenoate and isopropyl acetylacetate.

The physical properties of this chemical are as below: (1)ACD/LogP: 3.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.59; (4)ACD/LogD (pH 7.4): 3.59; (5)ACD/BCF (pH 5.5): 312.59; (6)ACD/BCF (pH 7.4): 312.95; (7)ACD/KOC (pH 5.5): 2125.07; (8)ACD/KOC (pH 7.4): 2127.46; (9)#H bond acceptors: 8; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 94.76; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 96.9 cm³; (15)Molar Volume: 297.1 cm³; (16)Polarizability: 38.41×10^-24 cm³; (17)Surface Tension: 47.8 dyne/cm; (18)Density: 1.249 g/cm³; (19)Flash Point: 257.4 °C; (20)Enthalpy of Vaporization: 77.09 kJ/mol; (21)Boiling Point: 501.9 °C at 760 mmHg; (22)Vapour Pressure: 3.32E-10 mmHg at 25°C; (23)Exact Mass: 371.148121; (24)MonoIsotopic Mass: 371.148121; (25)Topological Polar Surface Area: 104; (26)Heavy Atom Count: 27; (27)Complexity: 685.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC=CC3=NON=C32)C(=O)OC
(2)InChI: InChI=1S/C19H21N3O5/c1-9(2)26-19(24)15-11(4)20-10(3)14(18(23)25-5)16(15)12-7-6-8-13-17(12)22-27-21-13/h6-9,16,20H,1-5H3
(3)InChIKey: HMJIYCCIJYRONP-UHFFFAOYSA-N