Home > Name List By 2 > 2-(N-benzylanilino)ethyl 5-(5,5-dimethyl-2-oxo-1,3,2λ

CAS No 111011-63-3 , 2-(N-benzylanilino)ethyl
5-(5,5-dimethyl-2-oxo-1,3,2λ

  • Name: 2-(N-benzylanilino)ethyl
    5-(5,5-dimethyl-2-oxo-1,3,2λ
  • Synonyms: DSSTox_CID_23988;5-dioxaphosphinan-2-yl)-2,
    6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate; AC1L3OBH; Efonidipine (INN); NCGC00182046-01; UNII-40ZTP2T37Q; DSSTox_RID_80095; 111011-63-3;Efonidipine [INN];2-(N-benzylanilino)ethyl
    5-(5,5-dimethyl-2-oxo-1,3,2λ
  • CAS Registry Number:
  • Flash Point: 405.5°C
  • Boiling Point: 746.9°Cat760mmHg
  • Density: 1.3g/cm3
  • Flash Point: 405.5°C
  • Molecular Weight: 631.655182
  • InchiKey: NSVFSAJIGAJDMR-UHFFFAOYSA-N
  • InChI: InChI=1S/C34H38N3O7P/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
  • Molecular Formula: C34H38N3O7P
  • Molecular Structure:CAS No:111011-63-3 2-(N-benzylanilino)ethyl<br />5-(5,5-dimethyl-2-oxo-1,3,2λ

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References of 2-(N-benzylanilino)ethyl
5-(5,5-dimethyl-2-oxo-1,3,2λ
Title: Efonidipine
CAS Registry Number: 111011-63-3
CAS Name: 5-(5,5-Dimethyl-1,3,2-dioxaphosphorinan-2-yl)-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3-pyridinecarboxylic acid 2-[phenyl(phenylmethyl)amino]ethyl ester, P-oxide
Synonyms: 2-(N-benzylanilino)ethyl(±)-1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)-5-phosphononicotinate, cyclic 2,2-dimethyltrimethylene ester
Molecular Formula: C34H38N3O7P
Molecular Weight: 631.66
Percent Composition: C 64.65%, H 6.06%, N 6.65%, O 17.73%, P 4.90%
Literature References: Dihydropyridine calcium channel blocker. Prepn: K. Seto et al., WO 8704439; idem et al., US 4885284 (1987, 1989 both to Nissan); and crystal structure: R. Sakoda et al., Chem. Pharm. Bull. 40, 2362 (1992). Stereoselective synthesis of enantiomers and crystal structure of (S)-form: idem et al., ibid. 2377. Pharmacology: C. Shudo et al., J. Pharm. Pharmacol. 45, 525 (1993). Mechanism of action study: T. Yamashita et al., Jpn. J. Pharmacol. 57, 337 (1991). Clinical study: T. Saito et al., Curr. Ther. Res. 52, 113 (1992).
Properties: Crystals from ethyl acetate, mp 169-170° (Sakoda); also reported as mp 155-156° (Seto).
Melting point: mp 169-170° (Sakoda); mp 155-156° (Seto)
 
Derivative Type: Hydrochloride
CAS Registry Number: 111011-53-1
Molecular Formula: C34H38N3O7P.HCl
Molecular Weight: 668.12
Percent Composition: C 61.12%, H 5.88%, N 6.29%, O 16.76%, P 4.64%, Cl 5.31%
Properties: LD50 in mice (mg/kg): >600 orally (Seto).
Toxicity data: LD50 in mice (mg/kg): >600 orally (Seto)
 
Derivative Type: Hydrochloride ethanol
CAS Registry Number: 111011-76-8
Manufacturers' Codes: NZ-105
Trademarks: Landel (Zeria)
Molecular Formula: C34H38N3O7P.C2H5OH.HCl
Molecular Weight: 714.18
Percent Composition: C 60.54%, H 6.35%, N 5.88%, O 17.92%, P 4.34%, Cl 4.96%
Properties: Yellow crystals from aq ethanol, mp 151° (dec).
Melting point: mp 151° (dec)
 
Derivative Type: (S)- or (R)-Form
Properties: Pale yellow crystals from ethanol, mp 190-192°. [a]D25 + or -7.0° resp (c = 0.50 in chloroform).
Melting point: mp 190-192°
Optical Rotation: [a]D25 + or -7.0° resp (c = 0.50 in chloroform)
 
Therap-Cat: Antihypertensive.
Keywords: Antihypertensive; Dihydropyridine Derivatives; Calcium Channel Blocker; Dihydropyridine Derivatives.