Pubchem ID | 5280793 |
---|---|
CAS | 50-14-6 |
IUPAC name | (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol |
Synonyms | Ergocalciferol|Calciferol|Viosterol|Oleovitamin D2|Ercalciol|Deltalin|Sterogyl|Ergorone|Detalup|Fortodyl|Radsterin|Mulsiferol|Crystallina|Condocaps|Condol|Drisdol|Ertron|Geltabs|Diactol|Deratol|Daral|Novovitamin-D|Divit urto|D-Tracetten|Hi-Deratol|Vitavel-D|Calciferon 2|Calciferolum|Hyperkil|Rodinec|Mina D2|Viosterol |
Categories | Nutrition enhancer |
SMILES | CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C |
InCheykey | 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 |
Natural | nan |
E No. | - |
GHS Siginal | - |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
396.659 | 1 | 1 | 5 | 20.2 |
Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
---|---|---|---|---|---|
Very Low Absorption | Very Low Solubility | Binder | Undefined | Non - Inhibitor | Non Toxic |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Carcinogen | Toxic | Non-Mutagen | Irritant | Irritant | Non-Irritant | Degradable |