|
|
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
- All
- Classifications
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
Classification Codes
- Antiviral (COVID-19)
- Bone Density Conservation Agents
- Calcium Channel Agonists
- Calcium-Regulating Hormones and Agents
- Cardiovascular Agents
- Drug / Therapeutic Agent
- Growth Substances
- Membrane Transport Modulators
- Micronutrients
- Mutation Data
- Regulator (Calcium)
- Reproductive Effect
- Vasoconstrictor Agents
- Vitamins
* denotes mobile formatted website
Links to Resources
NLM Resources (File Locators)
Regulatory Agencies (Superlist Locators)
Other Resources (Internet Locators)
Search for this InChIKey on the Web
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
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/s1InChIKey
GMRQFYUYWCNGIN-NKMMMXOESA-NSmiles
C[C@H](CCCC(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.