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Substance Name: Ergocalciferol [USP:INN:BAN:JAN]
RN: 50-14-6
UNII: VS041H42XC
InChIKey: MECHNRXZTMCUDQ-RKHKHRCZSA-N

Note

  • Derivatives of ERGOSTEROL formed by ULTRAVIOLET RAYS breaking of the C9-C10 bond. They differ from CHOLECALCIFEROL in having a double bond between C22 and C23 and a methyl group at C24.

Molecular Formula

  • C28-H44-O

Molecular Weight

  • 396.6546
 

Classification Codes

Classification Codes

  • Agricultural Chemical
  • Bone Density Conservation Agents
  • Drug / Therapeutic Agent
  • Growth Substances
  • Human Data
  • Micronutrients
  • Reproductive Effect
  • Rodenticide
  • Vitamin (Antirachitic)
  • Vitamins

Superlist Classification Code

  • Threshold Planning Quantity (TPQ) = 1000/10000 lb

Names and Synonyms

Name of Substance

  • Ergocalciferol
  • Ergocalciferol [USP:INN:BAN:JAN]
  • Viosterol
  • Vitamin D2

MeSH Heading

  • Ergocalciferols

Synonyms

  • (+)-Vitamin D2
  • (3-beta,5Z,7E,22E)-9,10-Secoergosta-5,7,10,(19),22-tetraen-3-ol
  • 9,10-Seco(5Z,7E,22E)-5,7,10(19),22-ergostatetraen-3-ol
  • 9,10-Secoergosta-5,7,10(19),22-tetraen-3-beta-ol
  • Activated ergosterol
  • Buco-D
  • Calciferol
  • Calciferolum
  • Calciferon 2
  • Condocaps
  • Condol
  • Crystallina
  • D-Arthin
  • D-Tracetten
  • Daral
  • Davitamon D
  • Davitin
  • De-rat concentrate
  • Decaps
  • Dee-Osterol
  • Dee-Ron
  • Dee-Ronal
  • Dee-Roual
  • Deltalin
  • Deratol
  • Detalup
  • Diactol
  • Disdrol
  • Divit urto
  • Doral [Vitamin Derivative]
  • Drisdol
  • EINECS 200-014-9
  • Ergocalciferol
  • Ergocalciferolo
  • Ergocalciferolo [DCIT]
  • Ergocalciferolum
  • Ergocalciferolum [INN-Latin]
  • Ergorone
  • Ertron
  • Fortodyl
  • Geltabs
  • HI-Deratol
  • HSDB 819
  • Hyperkil
  • Infron
  • Irradiated ergosta-5,7,22-trien-3-beta-ol
  • Metadee
  • Mina D2
  • Mulsiferol
  • Mykostin
  • Novovitamin-D
  • NSC 62792
  • Oleovitamin D2
  • Ostelin
  • Radiostol
  • Radsterin
  • Rodine C
  • Rodinec
  • Shock-ferol
  • Sorex C.R.
  • Sterogyl
  • UNII-VS041H42XC
  • Vigantol
  • Vio-D
  • Viosterol
  • Vitamin D2
  • Vitavel-D

Systematic Names

  • 9,10-Secoergosta-5,7,10(19),22-tetraen-3-ol, (3beta,5Z,7E,22E)-
  • Cyclohexanol, 4-methylene-3-((2E)-2-((1R,3aS,7aR)-octahydro-7a-methyl-1-((1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl)-4H-inden-4-ylidene)ethylidene)-, (1S,3Z)-
  • Ergocalciferol

Superlist Names

  • 9,10-Seco(5Z,7E,22E)-5,7,10(19),22-ergostatetraen-3-ol
  • Ergocalciferol
  • Vitamin D2

Mixture Names

  • Geltabs Vitamin D
  • Haliver

Registry Numbers

CAS Registry Number

  • 50-14-6

FDA UNII

  • VS041H42XC

Other Registry Numbers

  • 1384584-60-4
  • 31316-19-5
  • 7489-18-1
  • 8017-28-5

System Generated Number

  • 0000050146

Structure Descriptors

InChI

1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1

InChIKey

MECHNRXZTMCUDQ-RKHKHRCZSA-N

Smiles

CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2\C(=C\C=C/3\C[C@@H](O)CCC3=C)\CCC[C@]12C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo oral 5mg/kg (5mg/kg)   Drugs in Japan Vol. 6, Pg. 128, 1982.
dog LDLo intramuscular 5mg/kg (5mg/kg)   Zeitschrift fuer die Gesamte Experimentelle Medizin. Vol. 116, Pg. 138, 1950.
dog LDLo intraperitoneal 10mg/kg (10mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING

BEHAVIORAL: FLUID INTAKE

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)		 Zeitschrift fuer die Gesamte Experimentelle Medizin. Vol. 116, Pg. 138, 1950.
dog LDLo intravenous 5mg/kg (5mg/kg)   Zeitschrift fuer die Gesamte Experimentelle Medizin. Vol. 116, Pg. 138, 1950.
dog LDLo oral 4mg/kg (4mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

GASTROINTESTINAL: NAUSEA OR VOMITING

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)		 Zeitschrift fuer die Gesamte Experimentelle Medizin. Vol. 116, Pg. 138, 1950.
duck LD50 oral > 2gm/kg (2000mg/kg)   Defense des Vegetaux. Vol. 43(255-256), Pg. 14, 1989.
guinea pig LDLo oral 40mg/kg (40mg/kg)   Drugs in Japan Vol. 6, Pg. 128, 1982.
mouse LD50 oral 23700ug/kg (23.7mg/kg)   Pesticide Manual. Vol. 9, Pg. 115, 1991.
rat LD50 oral 10mg/kg (10mg/kg)   "Agricultural Chemicals," Thomson, W.T., 4 vols., Fresno, CA, Thomson Publications, 1976/77 revisionVol. 3, Pg. 132, 1986.
women TDLo oral 12600ug/kg/72 (12.6mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING

BEHAVIORAL: ANOREXIA (HUMAN		 Lancet. Vol. 1, Pg. 1164, 1980.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 116.5 deg C   EXP
log P (octanol-water) 10.44 (none)   EST
Water Solubility 50 mg/L   EXP
Atmospheric OH Rate Constant 3.53E-10 cm3/molecule-sec 25 EST

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