3-Pyridinecarboxylicacid,5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphorinan-2-yl)-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-,2-[phenyl(phenylmethyl)amino]ethyl ester, hydrochloride (1:1) supplier

Name
EFONIDIPINE HCL
EINECS
CAS No. 111011-53-1
Density
Solubility
Melting Point 169-170oC
Formula C₃₄H₃₉ClN₃O₇P
Boiling Point 746.9 °C at 760 mmHg
Molecular Weight 668.12
Flash Point 405.5 °C
Transport Information
Appearance crystals from ethyl acetate
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Pyridinecarboxylicacid,5-(5,5-dimethyl-1,3,2-dioxaphosphorinan-2-yl)-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-,2-[phenyl(phenylmethyl)amino]ethyl ester, P-oxide, monohydrochloride;3-Pyridinecarboxylic acid, 5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphorinan-2-yl)-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-,2-[phenyl(phenylmethyl)amino]ethyl ester, monohydrochloride (9CI);Efonidipinehydrochloride;NZ 105;
PSA 132.73000
LogP 8.95720

3-Pyridinecarboxylicacid,5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphorinan-2-yl)-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-,2-[phenyl(phenylmethyl)amino]ethyl ester, hydrochloride (1:1) Specification

This chemical is called 3-Pyridinecarboxylicacid,5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphorinan-2-yl)-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-,2-[phenyl(phenylmethyl)amino]ethyl ester, hydrochloride (1:1), and its systematic name is 2-[benzyl(phenyl)amino]ethyl 5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate hydrochloride (1:1). With the molecular formula of C₃₄H₃₉ClN₃O₇P, its molecular weight is 668.12. The CAS registry number of this chemical is 111011-53-1.

Other characteristics of the 3-Pyridinecarboxylicacid,5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphorinan-2-yl)-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-,2-[phenyl(phenylmethyl)amino]ethyl ester, hydrochloride (1:1) can be summarised as followings: (1)ACD/LogP: 6.99; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 6.98; (4)ACD/LogD (pH 7.4): 6.99; (5)ACD/BCF (pH 5.5): 116869.67; (6)ACD/BCF (pH 7.4): 121476.48; (7)ACD/KOC (pH 5.5): 145950.48; (8)ACD/KOC (pH 7.4): 151703.63; (9)#H bond acceptors: 10; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 123.94 Å²; (13)Flash Point: 405.5 °C; (14)Enthalpy of Vaporization: 108.88 kJ/mol; (15)Boiling Point: 746.9 °C at 760 mmHg; (16)Vapour Pressure: 3.5E-22 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=P1(OCC(CO1)(C)C)C/4=C(/N\C(=C(\C(=O)OCCN(c2ccccc2)Cc3ccccc3)C\4c5cccc([N+]([O-])=O)c5)C)C.Cl
2.InChI: InChI=1/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
3.InChIKey: OXVTXPCIJDYQIS-UHFFFAOYAQ

Product Name

EFONIDIPINE HCL

3-Pyridinecarboxylicacid,5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphorinan-2-yl)-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-,2-[phenyl(phenylmethyl)amino]ethyl ester, hydrochloride (1:1) Specification

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