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Substance Name: Tacalcitol [INN:BAN:JAN]
RN: 57333-96-7
UNII: C2W72OJ5ZU
InChIKey: BJYLYJCXYAMOFT-RSFVBTMBSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H44-O3

Molecular Weight

  • 416.6416
 
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Names and Synonyms

Name of Substance

  • Tacalcitol [INN:BAN:JAN]

Synonyms

  • (1-alpha,3-beta,5Z,7E,24R)-9,10-Secocholesta-5,7,10(19)-triene-1,3,24-triol
  • 1-alpha,24(R)-Dihydroxyvitamin D3
  • Bonalfa
  • CCRIS 4211
  • Curatoderm
  • PRI 2191
  • Tacalcitol
  • Tacalcitolum
  • Tacalcitolum [INN-Latin]
  • TV 02
  • TV-02
  • UNII-C2W72OJ5ZU

Systematic Names

  • (+)-(5Z,7E,24R)-9,10-Secocholesta-5,7,10(19)-triene-1alpha,3beta,24-triol
  • 1alpha,24(R)-Dihydroxyvitamin D3
  • 9,10-Secocholesta-5,7,10(19)-triene-1,3,24-triol, (1-alpha,3-beta,5Z,7E,24R)-

Registry Numbers

CAS Registry Number

  • 57333-96-7

FDA UNII

  • C2W72OJ5ZU

Other Registry Number

  • 131801-95-1

System Generated Number

  • 0057333967

Structure Descriptors

InChI

InChI=1S/C27H44O3/c1-17(2)25(29)13-8-18(3)23-11-12-24-20(7-6-14-27(23,24)5)9-10-21-15-22(28)16-26(30)19(21)4/h9-10,17-18,22-26,28-30H,4,6-8,11-16H2,1-3,5H3/b20-9+,21-10-/t18-,22-,23-,24+,25-,26+,27-/m1/s1

InChIKey

BJYLYJCXYAMOFT-RSFVBTMBSA-N

Smiles

CC(C)[C@H](O)CC[C@@H](C)[C@H]1CC[C@H]2\C(=C\C=C/3\C[C@@H](O)C[C@H](O)C3=C)\CCC[C@]12C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 subcutaneous 10ug/kg (0.01mg/kg) BLOOD: "CHANGES IN SERUM COMPOSITION (E.G., TP, BILIRUBIN, CHOLESTEROL)"

BEHAVIORAL: FOOD INTAKE (ANIMAL)
Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 17, Pg. 4615, 1989.
mouse LD50 intravenous 559ug/kg (0.559mg/kg)   Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 17, Pg. 4615, 1989.
mouse LD50 intravenous 559ug/kg (0.559mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE
Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 17, Pg. 4615, 1989.
mouse LD50 oral 3050ug/kg (3.05mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE
Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 17, Pg. 4615, 1989.
mouse LD50 subcutaneous 419ug/kg (0.419mg/kg)   Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 17, Pg. 4615, 1989.
mouse LD50 subcutaneous 419ug/kg (0.419mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE
Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 17, Pg. 4615, 1989.
rat LD50 intravenous 556ug/kg (0.556mg/kg) SKIN AND APPENDAGES (SKIN): HAIR: OTHER

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE
Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 17, Pg. 4615, 1989.
rat LD50 oral 3279ug/kg (3.279mg/kg) SKIN AND APPENDAGES (SKIN): HAIR: OTHER Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 17, Pg. 4615, 1989.
rat LD50 subcutaneous 100ug/kg (0.1mg/kg)   Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 17, Pg. 4615, 1989.
rat LD50 subcutaneous 100ug/kg (0.1mg/kg) SKIN AND APPENDAGES (SKIN): HAIR: OTHER Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 17, Pg. 4615, 1989.