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Substance Name: Alfacalcidol [INN:BAN:JAN]
RN: 41294-56-8
UNII: URQ2517572
InChIKey: OFHCOWSQAMBJIW-AVJTYSNKSA-N

Note

  • A vitamin D analog.

Molecular Formula

  • C27-H44-O2

Molecular Weight

  • 400.6426
 

Classification Codes

  • Bone Density Conservation Agents
  • Drug / Therapeutic Agent
  • Reproductive Effect
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Names and Synonyms

Name of Substance

  • 1alpha-Hydroxycholecalciferol
  • Alfacalcidol
  • Alfacalcidol [INN:BAN:JAN]

Synonyms

  • (5Z,7E)-9,10-Seco-5,7,10(19)-cholestatrien-1alpha,3beta-diol
  • 1-Hydroxycholecalciferol
  • 1-Hydroxyvitamin D3
  • 1alpha-Hydroxy-vitamin D3
  • Alfacalcidol
  • Alfacalcidolum
  • Alfacalcidolum [INN-Latin]
  • Alfarol
  • Alpha D 3
  • alpha-Calcidol
  • Alpha-D3
  • Alphacalcidol
  • Bondiol
  • CCRIS 3341
  • EB 644
  • EINECS 255-297-1
  • EinsAlpha
  • Etalpha
  • One-Alpha
  • Oxydevit
  • Sinovul
  • Un-Alpha
  • UNII-URQ2517572

Systematic Names

  • (5Z,7E)-9,10-Secocholesta-5,7,10(19)-triene-1alpha,3beta-diol
  • 1alpha-Hydroxyvitamin D3
  • 9,10-Secocholesta-,7,10(19)-triene-1alpha,3beta-diol
  • 9,10-Secocholesta-5,7,10(19)-triene-1,3-diol, (1-alpha,3-beta,5Z,7E)-
  • 9,10-Secocholesta-5,7,10(19)-triene-1,3-diol, (1alpha,3beta,5Z,7E)-
  • Alfacalcidol

Registry Numbers

CAS Registry Number

  • 41294-56-8

FDA UNII

  • URQ2517572

Other Registry Numbers

  • 125324-15-4
  • 41461-06-7
  • 43157-29-5
  • 43217-90-9

System Generated Number

  • 0041294568

Structure Descriptors

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

Smiles

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous 200ug/kg (0.2mg/kg) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 9, Pg. 103, 1978.
dog LD50 oral 500ug/kg (0.5mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE
Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 9, Pg. 103, 1978.
mouse LD50 intravenous 56ug/kg (0.056mg/kg) MUSCULOSKELETAL: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Toxicology and Applied Pharmacology. Vol. 36, Pg. 323, 1976.
mouse LD50 oral 440ug/kg (0.44mg/kg) BLOOD: CHANGES IN SPLEEN

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 8, Pg. 560, 1977.
mouse LD50 subcutaneous 55ug/kg (0.055mg/kg)   PCT Vol. #86-05395,
rat LD50 intravenous 101ug/kg (0.101mg/kg) BLOOD: CHANGES IN SPLEEN

SENSE ORGANS AND SPECIAL SENSES: CHROMODACYRORREA: EYE

SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE
Oyo Yakuri. Pharmacometrics. Vol. 15, Pg. 653, 1978.
rat LD50 oral 340ug/kg (0.34mg/kg) SKIN AND APPENDAGES (SKIN): HAIR: OTHER

ENDOCRINE: OTHER CHANGES

SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION
Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 8, Pg. 560, 1977.
rat LD50 subcutaneous 40ug/kg (0.04mg/kg)   PCT Vol. #86-05395,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 136 deg C   EXP
log P (octanol-water) 9.110 (none)   EST
Atmospheric OH Rate Constant 2.77E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.