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CAS No 112965-21-6 , Calcipotriene

  • Name: Calcipotriene
  • Synonyms: Calcipotriene;(1S,3S,5Z)-5-[(2E)-2-[(1R,3aR,7aR)-1-[(E,2S)-5-Cyclopropyl-5-hydroxy-pent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol;
  • CAS Registry Number:
  • Melting Point: 166-168 ºC
  • Flash Point: 250.6ºC
  • Boiling Point: 582ºCat760mmHg
  • Density: 1.12g/cm3
  • Flash Point: 250.6ºC
  • Molecular Weight: 412.61
  • InChI: InChI=1S/C27H40O3/c1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2/h6-7,10,13,17,20,22-26,28-30H,2,4-5,8-9,11-12,14-16H2,1,3H3/b13-6+,19-7+,21-10-/t17-,22-,23-,24?,25-,26+,27-/m1/s1
  • Molecular Formula: C27H40O3
  • Molecular Structure:CAS No:112965-21-6 Calcipotriene

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References of Calcipotriene
Title: Calcipotriene
CAS Registry Number: 112965-21-6
CAS Name: (1a,3b,5Z,7E,22E,24S)-24-Cyclopropyl-9,10-secochola-5,7,10(19),22-tetraene-1,3,24-triol
Synonyms: (1S,1￠E,3R,5Z,7E,20R)-9,10-seco-20-(3￠-cyclopropyl-3￠-hydroxyprop-1￠-enyl)-1,3-dihydroxypregna-5,7,10(19)-triene; calcipotriol
Manufacturers' Codes: MC-903
Trademarks: Daivonex (Leo Pharm); Dovonex (Westwood-Squibb); Psorcutan (Schering AG)
Molecular Formula: C27H40O3
Molecular Weight: 412.60
Percent Composition: C 78.60%, H 9.77%, O 11.63%
Literature References: Vitamin D3 analog with low calcemic activity. Prepn: M. J. Calverley, E. T. Binderup, WO 8700834; eidem, US 4866048 (1987, 1989 both to Leo Pharm.); M. J. Calverley, Tetrahedron 43, 4609 (1987). Pharmacology: L. Binderup, E. Bramm, Biochem. Pharmacol. 37, 889 (1988); P. J. Marie et al., Bone 11, 171 (1990). Receptor binding: T. Valaja et al., Biochem. Pharmacol. 40, 1827 (1990). Review of clinical trials in psoriasis: D. M. Ashcroft et al., Br. Med. J. 320, 963-967 (2000).
Properties: Crystals from methyl formate, mp 166-168°. uv max (96% ethanol): 264 nm (e 17200).
Melting point: mp 166-168°
Absorption maximum: uv max (96% ethanol): 264 nm (e 17200)
Therap-Cat: Antipsoriatic.
Keywords: Antipsoriatic; Vitamin/Vitamin Source; Vitamin D.