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Substance Name: Calcitriol [USAN:USP:INN:BAN:JAN]
RN: 32222-06-3
UNII: FXC9231JVH
InChIKey: GMRQFYUYWCNGIN-NKMMMXOESA-N

Note

  • The physiologically active form of vitamin D. It is formed primarily in the kidney by enzymatic hydroxylation of 25-hydroxycholecalciferol (CALCIFEDIOL). Its production is stimulated by low blood calcium levels and parathyroid hormone. Calcitriol increases intestinal absorption of calcium and phosphorus, and in concert with parathyroid hormone increases bone resorption.

Molecular Formula

  • C27-H44-O3

Molecular Weight

  • 416.6416
 

Classification Codes

  • Bone Density Conservation Agents
  • Calcium Channel Agonists
  • Cardiovascular Agents
  • Drug / Therapeutic Agent
  • Growth Substances
  • Membrane Transport Modulators
  • Micronutrients
  • Mutation Data
  • Regulator (Calcium)
  • Reproductive Effect
  • Vasoconstrictor Agents
  • Vitamins

Names and Synonyms

Name of Substance

  • 1,25-Dihydroxycholecalciferol
  • Calcitriol
  • Calcitriol [USAN:USP:INN:BAN:JAN]
  • Dihydroxy-vitamin D3

MeSH Heading

  • Calcitriol

Synonyms

  • (5Z,7E)-9,10-Secocholesta-5,7,10(19)-triene-1alpha,3beta,25-triol
  • 1,25-(OH)2D3
  • 1,25-DHCC
  • 1,25-Dihydroxycholecaliferol
  • 1,25-Dihydroxyvitamin D
  • 1-alpha,25-Dihydroxycholecalciferol
  • 1-alpha,25-Dihydroxyvitamin D3
  • 1alpha,25-Dihydroxycholecalciferol
  • 1alpha,25-Dihydroxyvitamin D
  • 9,10-Seco(5Z,7E)-5,7,10(19)-cholestatriene-1alpha,3beta,25-triol
  • Calcijex
  • Calcitriol
  • Calcitriolum
  • Calcitriolum [INN-Latin]
  • CCRIS 5522
  • Dihydroxyvitamin D3
  • DN 101
  • DN-101
  • EINECS 250-963-8
  • HSDB 3482
  • Panbonis
  • Ro 21-5535
  • Ro 215535
  • Rocaltrol
  • Silkis
  • Soltriol
  • Topitriol
  • U 49562
  • UNII-FXC9231JVH
  • Vectical

Systematic Names

  • 1alpha,25-Dihydroxyvitamin D3
  • 9,10-Secocholesta-5,7,10(19)-triene-1,3,25-triol, (1alpha,3beta,5Z,7E)-
  • Calcitriol
  • Cholecalciferol, 1-alpha,25-dihydroxy-

Registry Numbers

CAS Registry Number

  • 32222-06-3

FDA UNII

  • FXC9231JVH

Other Registry Numbers

  • 1000873-74-4
  • 125338-24-1
  • 69878-52-0

System Generated Number

  • 0032222063

Structure Descriptors

InChI

1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1

InChIKey

GMRQFYUYWCNGIN-NKMMMXOESA-N

Smiles

C[C@H](CCCC(C)(C)O)[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
mouse LD50 intraperitoneal 1900ug/kg (1.9mg/kg) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

BEHAVIORAL: ATAXIA
Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 11, Pg. 4175, 1983.
mouse LD50 oral 1350ug/kg (1.35mg/kg) BEHAVIORAL: ATAXIA

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE
Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 11, Pg. 4175, 1983.
mouse LD50 subcutaneous 145ug/kg (0.145mg/kg) BEHAVIORAL: ATAXIA

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE
Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 11, Pg. 4175, 1983.
rat LD50 intraperitoneal > 5mg/kg (5mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

KIDNEY, URETER, AND BLADDER: OTHER CHANGES

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 11, Pg. 4175, 1983.
rat LD50 intravenous 105ug/kg (0.105mg/kg)   Japanese Kokai Tokyo Koho Patents. Vol. #94-247858,
rat LD50 oral 620ug/kg (0.62mg/kg)   Japanese Kokai Tokyo Koho Patents. Vol. #94-247858,
rat LD50 subcutaneous 66ug/kg (0.066mg/kg)   Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 11, Pg. 4175, 1983.
rat LD50 subcutaneous 66ug/kg (0.066mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA
Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 11, Pg. 4175, 1983.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 113 deg C   EXP
log P (octanol-water) 7.600 (none)   EST
Atmospheric OH Rate Constant 3.08E-10 cm3/molecule-sec 25 EST

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