Home > Name List By 5 > 5-O-[(3R)-1-benzylpiperidin-3-yl] 3-O-methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3, 5-dicarboxylate

CAS No 105979-17-7 , 5-O-[(3R)-1-benzylpiperidin-3-yl] 3-O-methyl
(4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,
5-dicarboxylate

  • Name: 5-O-[(3R)-1-benzylpiperidin-3-yl] 3-O-methyl
    (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,
    5-dicarboxylate
  • Synonyms: H007; MolPort-003-844-704; CTK8E8626; AC1LCVDP; Benidipene; NCGC00185768-01; AKOS015895389; SureCN24516;105979-17-7;5-O-[(3R)-1-benzylpiperidin-3-yl] 3-O-methyl
    (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,
    5-dicarboxylate;
  • CAS Registry Number:
  • Density: 1.29 g/cm3
  • Refractive index: 1.621
  • Molecular Weight: 505.56224
  • InchiKey: QZVNQOLPLYWLHQ-ZEQKJWHPSA-N
  • InChI: InChI=1S/C28H31N3O6/c1-18-24(27(32)36-3)26(21-11-7-12-22(15-21)31(34)35)
    25(19(2)29-18)28(33)37-23-13-8-14-30(17-23)16-20-9-5-4-6-10-20/h4-7,
    9-12,15,23,26,29H,8,13-14,16-17H2,1-3H3/t23-,26-/m1/s1
  • Molecular Formula: C28H31N3O6
  • Molecular Structure:CAS No:105979-17-7 5-O-[(3R)-1-benzylpiperidin-3-yl] 3-O-methyl<br />(4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,<br />5-dicarboxylate

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References of 5-O-[(3R)-1-benzylpiperidin-3-yl] 3-O-methyl
(4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,
5-dicarboxylate
Title: Benidipine
CAS Registry Number: 105979-17-7
CAS Name: (4R)-rel-1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic acid methyl (3R)-1-(phenylmethyl)-3-piperidinyl ester
Synonyms: (±)-(R*)-3-[(R*)-1-benzyl-3-piperidyl] methyl 1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxylate; (±)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid-3-(1-benzyl-3-piperidyl) ester-5-methyl ester
Molecular Formula: C28H31N3O6
Molecular Weight: 505.56
Percent Composition: C 66.52%, H 6.18%, N 8.31%, O 18.99%
Literature References: Dihydropyridine calcium channel blocker. Prepn (stereochemistry unspecified): K. Muto et al., EP 63365; eidem, US 4448964 (1982, 1984 both to Kyowa). Prepn: eidem, EP 106275 (1984 to Kyowa); and toxicity data: eidem, Arzneim.-Forsch. 38, 1662 (1988). Structural studies: N. Hirayama, E. Shimizu, Acta Crystallogr. C47, 458 (1991). Series of articles on properties, pharmacology, determn and clinical evaluation: Arzneim.-Forsch. 38, 1666-1763 (1988). Review: H. Suzuki, T. Saruta, Cardiovasc. Drug Rev. 7, 25-38 (1989).
 
Derivative Type: Hydrochloride
CAS Registry Number: 91599-74-5
Manufacturers' Codes: KW-3049
Trademarks: Coniel (Kyowa)
Molecular Formula: C28H31N3O6.HCl
Molecular Weight: 542.02
Percent Composition: C 62.05%, H 5.95%, N 7.75%, O 17.71%, Cl 6.54%
Properties: Yellow crystalline powder, mp 199.4-200.4°. uv max (ethanol): 238, 359 nm (e 2.80 ′ 104, 6.68 ′ 103). Soly at 25° (%): methanol 6.9; ethanol 2.2; water 0.19; chloroform 0.16; acetone 0.13; ethyl acetate 0.0056; toluene 0.0019; n-heptane 0.00009. pKa 7.34. Partition coefficient (n-octanol/water): 1230 (pH 6.4, 22°). LD50 orally in male mice: 218 mg/kg (Muto, 1988).
Melting point: mp 199.4-200.4°
pKa: pKa 7.34
Log P: Partition coefficient (n-octanol/water): 1230 (pH 6.4, 22°)
Absorption maximum: uv max (ethanol): 238, 359 nm (e 2.80 ′ 104, 6.68 ′ 103)
Toxicity data: LD50 orally in male mice: 218 mg/kg (Muto, 1988)
 
Therap-Cat: Antihypertensive.
Keywords: Antihypertensive; Dihydropyridine Derivatives; Calcium Channel Blocker; Dihydropyridine Derivatives.