Alfacalcidol | CAS No. 41294-56-8

Alfacalcidol

Basic Information

CAS Number

41294-56-8

Molecular Formula

C27H44O2

Molecular Weight

400.65 g/mol

EINECS

255-297-1

AD

Basic Physical Properties

Physical State

White to Almost white

Melting Point

134-136°C

Boiling Point

531.5±50.0 °C(Predicted)

Density

1.01±0.1 g/cm3(Predicted)

Flash Point

222.6±24.7 °C

Solubility

Practically insoluble in water, freely soluble in ethanol (96 per cent), soluble in fatty oils.

Refractive Index

1.534

CC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C

InChI

InChI=1S/C27H44O2/c1-18(2)8-6-9-19(3)24-13-14-25-21(10-7-15-27(24,25)5)11-12-22-16-23(28)17-26(29)20(22)4/h11-12,18-19,23-26,28-29H,4,6-10,13-17H2,1-3,5H3/b21-11+,22-12-/t19-,23-,24-,25+,26+,27-/m1/s1

InChIKey

OFHCOWSQAMBJIW-AVJTYSNKSA-N

LogP

6.589800000000009

pKa

14.43±0.40(Predicted)

Topological Polar Surface Area

40.46 Ų

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

643

Safety Information

View Safety Information

GHS Hazard Pictograms

H300H300
H310H310
H330H330

Hazard Statement

H300 Fatal if swallowed
Acute toxicity, oral
H310 Fatal in contact with skin
Acute toxicity, dermal
H330 Fatal if inhaled
Acute toxicity, inhalation

Hazard Class

Class 6.1(a) Class 6.1(a)

Synonyms & References

English

  • Diseon
  • OFHCOWSQAMBJIW-AVJTYSNKSA-N
  • Alpha-D3
  • 1
  • LP-0030
  • DTXSID0022569
  • 1.ALPHA.-HYDROXYCHOLECALCIFEROL [MI]
  • (5Z,7E)-(1S,3R)-9,10-seco-5,7,10(19)-cholestatriene-1,3-diol
  • alpha-Calcidol
  • Oxydevit
  • Tevabone
  • Alfacalcidolum [INN-Latin]
  • Un-Alpha
  • ALFACALCIDOL [JAN]
  • Un alpha
  • Un alfa
  • (1R,3S)-5-[2-[(1R,3As,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
  • CS-M0939
  • SCHEMBL3063
  • CHEBI:94779
  • 1A-HYDROXYCHOLECALCIFEROL, ALFACALCIDOL
  • 41294-56-8
  • 1.alpha.-Hydroxyvitamin D3
  • ALFACALCIDOL [EP MONOGRAPH]
  • EB 644
  • (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
  • Q-200608
  • ALFACALCIDOL [WHO-DD]
  • Alphacalcidol
  • D01518
  • DB01436

MDL Number

MFCD00868328

EC Number

255-297-1

Customs Code

29361000

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