ChemSpider 2D Image | Azelnidipine | C33H34N4O6

Azelnidipine

  • Molecular FormulaC33H34N4O6
  • Average mass582.646 Da
  • Monoisotopic mass582.247864 Da
  • ChemSpider ID59352

More details:



Featured data source



Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(±)-1,4-Dihydro-2-amino-6-methyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic Acid 3-(1-(Diphenylmethyl)-3-azetidinyl) 5-(1-Methylethyl) Ester
123524-52-7 [RN]
2-Amino-6-méthyl-4-(3-nitrophényl)-1,4-dihydro-3,5-pyridinedicarboxylate de 3-[1-(diphénylméthyl)-3-azétidinyle] et de 5-isopropyle [French] [ACD/IUPAC Name]
3-(1-(Diphenylmethyl)-3-azetidinyl) 5-Isopropyl (±)-2-Amino-1,4-dihydro-6-methyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxylate
3,5-Pyridinedicarboxylic acid, 2-amino-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-, 3-[1-(diphenylmethyl)-3-azetidinyl] 5-(1-methylethyl) ester [ACD/Index Name]
3-[1-(Diphenylmethyl)-3-azetidinyl] 5-isopropyl 2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate [ACD/IUPAC Name]
3-[1-(Diphenylmethyl)-3-azetidinyl]-5-isopropyl-2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridindicarboxylat [German] [ACD/IUPAC Name]
3-[1-(Diphenylmethyl)azetidin-3-yl] 5-isopropyl 2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
3-[1-(diphenylmethyl)azetidin-3-yl] 5-propan-2-yl 2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
7109
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

0089IC5K88 [DBID]
368RN01P1M [DBID]
CS 905 [DBID]
CS-905 [DBID]
D01145 [DBID]
RS-9054 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      IRRITANT Matrix Scientific 093721
      P261; P262 Biosynth Q-200665
    • Target Organs:

      Calcium channel TargetMol T0121
    • Bio Activity:

      Azelnidipine(CS 905; Calblock) is a novel dihydropyridine derivative, a L-type calcium channel blocker, and an antihypertensive. MedChem Express
      Azelnidipine(CS 905; Calblock) is a novel dihydropyridine derivative, a L-type calcium channel blocker, and an antihypertensive.; IC50 value:; Target: L-type calcium channel; Acute administration of azelnidipine prevents a sudden drop of cardiac function after acute stress. MedChem Express HY-B0023
      Azelnidipine(CS 905; Calblock) is a novel dihydropyridine derivative, a L-type calcium channel blocker, and an antihypertensive.;IC50 value:;Target: L-type calcium channelAcute administration of azelnidipine prevents a sudden drop of cardiac function after acute stress. Azelnidipine may have a protective role in inflammation associated with atherosclerosis. MedChem Express HY-B0023
      Calcium Channel MedChem Express HY-B0023
      Calcium Channel TargetMol T0121
      Membrane Transporter/Ion Channel MedChem Express HY-B0023
      Membrane Transporter/Ion Channel TargetMol T0121
      Membrane Transporter/Ion Channel; MedChem Express HY-B0023

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 709.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.7±3.0 kJ/mol
Flash Point: 382.8±32.9 °C
Index of Refraction: 1.659
Molar Refractivity: 161.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.21
ACD/LogD (pH 5.5): 4.20
ACD/BCF (pH 5.5): 631.01
ACD/KOC (pH 5.5): 2246.94
ACD/LogD (pH 7.4): 4.87
ACD/BCF (pH 7.4): 2933.84
ACD/KOC (pH 7.4): 10446.97
Polar Surface Area: 140 Å2
Polarizability: 63.9±0.5 10-24cm3
Surface Tension: 64.1±5.0 dyne/cm
Molar Volume: 437.5±5.0 cm3

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