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Substance Name: Cholecalciferol [USP:BAN:JAN:ISO]
RN: 67-97-0
UNII: 1C6V77QF41
InChIKey: QYSXJUFSXHHAJI-YRZJJWOYSA-N
Note
- Derivative of 7-dehydroxycholesterol formed by ULTRAVIOLET RAYS breaking of the C9-C10 bond. It differs from ERGOCALCIFEROL in having a single bond between C22 and C23 and lacking a methyl group at C24.
Molecular Formula
- C27-H44-O
Molecular Weight
- 384.6436
- All
- Classifications
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
Classification Codes
- Antiviral (COVID-19)
- Bone Density Conservation Agents
- Calcium-Regulating Hormones and Agents
- Growth Substances
- Human Data
- Micronutrients
- Reproductive Effect
- Rodenticide
- Vitamin (Antirachitic)
- Vitamins
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Names and Synonyms
Name of Substance
- 9,10-Secocholestra-5,7,10(19)-trien-3-ol, (3beta,5Z,7E)-
- Cholecalciferol
- Cholecalciferol [USP:BAN:JAN:ISO]
- Colecalciferol [INN]
- Vitamin D3
MeSH Heading
- Cholecalciferol
Synonyms
- 7-Dehydrocholesterol, irradiated
- 7-Dehydrocholestrol, activated
- 9,10-Seco(5Z,7E)-5,7,10(19)-cholestatrien-3-ol
- 9,10-Secocholesta-5,7,10(19)-trien-3-beta-ol
- Activated 7-dehydrocholesterol
- Arachitol
- Calciol
- CC
- CCRIS 6286
- Cholecalciferol
- Cholecalciferol, D3
- Cholecalciferolum
- Colecalciferol
- Colecalciferol D3
- Colecalciferolo
- Colecalciferolo [DCIT]
- Colecalciferolum
- Colecalciferolum [INN-Latin]
- Colecalcipherol
- D3-Vicotrat
- D3-Vigantol
- Delsterol
- Deparal
- DP-R206
- Duphafral D3 1000
- Ebivit
- EINECS 200-673-2
- EPA Pesticide Chemical Code 202901
- HSDB 820
- Irradiated 7-dehydrocholesterol
- NEO Dohyfral D3
- NSC 375571
- Oleovitamin D3
- Quintox
- Rampage
- Ricketon
- Trivitan
- UNII-1C6V77QF41
- Vi-de-3-hydrosol
- Vi-De3
- Vigantol
- Vigantol Oil
- Vigorsan
- Vitamin D3
- Vitinc dan-dee-3
Systematic Names
- 9,10-Secocholesta-5,7,10(19)-trien-3-ol, (3beta,5Z,7E)-
- Colecalciferol
- Cyclohexanol, 3-((2E)-2-((1R,3aS,7aR)-1-((1R)-1,5-dimethylhexyl)octahydro-7a-methyl-4H-inden-4-ylidene)ethylidene)-4-methylene-, (1S,3Z)-
- Vitamin D3
Superlist Names
- 9,10-Seco(5Z,7E)-5,7,10(19)-cholestatrien-3-ol
- Cholecalciferol
- Vitamin D3
Registry Numbers
CAS Registry Number
- 67-97-0
FDA UNII
- 1C6V77QF41
Other Registry Numbers
- 8024-19-9
- 8050-67-7
System Generated Number
- 0000067970
Structure Descriptors
InChI
InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1InChIKey
QYSXJUFSXHHAJI-YRZJJWOYSA-NSmiles
CC(C)Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
dog | LD50 | oral | 80mg/kg (80mg/kg) | GASTROINTESTINAL: OTHER CHANGES BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) | Journal of the American Veterinary Medical Association. Vol. 193, Pg. 211, 1988. |
duck | LD50 | oral | > 2gm/kg (2000mg/kg) | Veterinary and Human Toxicology. Vol. 41, Pg. 344, 1999. | |
infant | TDLo | oral | 39mg/kg/34W-I (39mg/kg) | BEHAVIORAL: ANOREXIA (HUMAN BEHAVIORAL: IRRITABILITY GASTROINTESTINAL: DECREASED MOTILITY OR CONSTIPATION | British Medical Journal. Vol. 295, Pg. 1173, 1987. |
mouse | LD50 | intraperitoneal | 136mg/kg (136mg/kg) | Veterinary and Human Toxicology. Vol. 31, Pg. 105, 1989. | |
mouse | LD50 | oral | 42500ug/kg (42.5mg/kg) | Defense des Vegetaux. Vol. 43(255-256), Pg. 14, 1989. | |
rat | LD50 | oral | 42mg/kg (42mg/kg) | Toxicology and Applied Pharmacology. Vol. 43, Pg. 125, 1978. |
Physical Properties
Physical Property | Value | Units | Temp (deg C) | Source |
---|---|---|---|---|
Melting Point | 84.5 | deg C | EXP | |
log P (octanol-water) | 10.24 | (none) | EST | |
Atmospheric OH Rate Constant | 2.70E-10 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.