Product Name

  • Name

    Elocalcitol

  • EINECS
  • CAS No. 199798-84-0
  • Article Data6
  • CAS DataBase
  • Density
  • Solubility
  • Melting Point
  • Formula C29H43FO2
  • Boiling Point
  • Molecular Weight 442.658
  • Flash Point
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 199798-84-0 (Elocalcitol)
  • Hazard Symbols
  • Synonyms BXL 628;Ro 26-9228;Cyclohexanol, 3-((2E)-((3aS,7aS)-1-((1S,3E)-5-ethyl-5-hydroxy-1-methyl-3-heptenyl)-3,3a,5,6,7,7a-hexahydro-7a-methyl-4H-inden-4-ylidene)ethylidene)-5-fluoro-4-methylene-, (1R,3Z,5S)-;1alpha-Fluoro-25-hydroxy-16,23E-diene-26,27-bishomo-20-epi-cholecalciferol;Cyclohexanol, 3-((1-(5-ethyl-5-hydroxy-1-methyl-3-heptenyl)-3,3a,5,6,7,7a-hexahydro-7a-methyl-4H-inden-4-ylidene)ethylidene)-5-fluoro-4-methylene-, (3aS-(1(1R*,3E),3aalpha,4E(1S*,3Z,5R*),7abeta))-;
  • PSA 40.46000
  • LogP 7.15820

Elocalcitol Specification

1. Introduction of Elocalcitol

Elocalcitol, with the IPUAC name of (1R,3E,5S)-3-[(2E)-2-[(3aS,7aS)-1-[(E,2S)-6-ethyl-6-hydroxyoct-4-en-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-5-fluoro-4-methylidenecyclohexan-1-ol, is one kind of calcitriol analog. Elocalcitol is a calcitriol analog for inhibition of prostate cell growth and in phase II clinical trial in patients with benign prostate hyperplasia (4/2004). It is an analogue of calcitriol that possesses the desirable properties of calcitriol but does not cause hypercalcemia and also Elocalcitol is in development for benign prostatic hyperplasia (BPH) and overactive bladder (OAB). However, Elocalcitol showed relevant effects on the symptomatic parameters urgency, frequency and nocturia, as well as on the urodynamic parameter maximum urinary flow rate (Qmax), this chemicals continues to show excellent safety and tolerability, avoiding the side effects associated with the currently available treatment options.

2. Structure Descriptors of Elocalcitol

1)InChI: InChI=1/C29H43FO2/c1-6-29(32,7-2)17-8-10-20(3)25-14-15-26-22(11-9-16-28(25,26)5)12-13-23-18-24(31)19-27(30)21(23)4/h8,12-14,17,20,24,26-27,31-32H,4,6-7,9-11,15-16,18-19H2,1-3,5H3/b17-8+,22-12+,23-13+/t20-,24+,26-,27-,28+/m0/s1
2)Smiles: [C@@H]1(C[C@@H](C(=C)/C(=C/C=C2/[C@H]3[C@](CCC2)(C(=CC3)[C@H](C/C=C/C(CC)(CC)O)C)C)C1)F)O

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