| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2009 | 29 | Yes |
Popular Name: Ergocalciferol Ergocalciferol
"Vitamin D2, 98% [40000 IU/mg]"
(5Z,7E,22E)-(3S)-9,10-seco-5,7,10(19),22-ergostatetraen-3-ol
50-14-6; C05441; Ergocalciferol; Vitamin D2
50-14-6; Calciferol (TN); D00187; Drisdol (TN); Ergocalciferol (JP16/USP)
50-14-6; Calciferol; Prestwick_554
Ergocalciferol (Vitamin D2) skeleton
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 7.42 | 14.04 | -2.32 | 1 | 1 | 0 | 20 | 396.659 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 115 - 119 | Acros Organics |
| ALOGPS_SOLUBILITY | 4.33e-04 g/l | DrugBank-nutriceuticals |
| Therapy | antirachitic vitamin | SMDC Pharmakon |
| therap | antirachitic vitamin; LD50 (rat) 56 mg/kg po | MicroSource Spectrum |
| UniProt Database Links | CP2R1_HUMAN; CP2R1_MOUSE; CPVDH_PSEAH | ChEBI |
| Target | DNA/RNA Synthesis | Selleck Chemicals |
| Patent Database Links | EP1559430; EP1983044; US2005014211; US2005277171 | ChEBI |
| H phrase | H301: Toxic if swallowed | Acros Organics |
| H phrase | H301: Toxic if swallowed; H311: Toxic in contact with skin; H330: Fatal if inhaled; H372: Causes damage to organs through prolonged or repeated exposure if swallowed | Acros Organics |
| Target | Others | Selleck Chemicals |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P302 + P350: IF ON SKIN: Gently wash with plenty of soap and water; P304 + P340: IF INHALED: | Acros Organics |
| R phrase | R24/25: Toxic in contact with skin and if swallowed. | Acros Organics |
| R phrase | R24/25: Toxic in contact with skin and if swallowed.; R26: Very toxic by inhalation.; R48/25: Toxic : danger of serious damage to health by prolonged exposure if swallowed. | Acros Organics |
| S phrase | S28A: After contact with skin, wash immediately with plenty of water. | Acros Organics |
| S phrase | S28A: After contact with skin, wash immediately with plenty of water.; S36/37: Wear suitable protective clothing and gloves.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). | Acros Organics |
| Hazard | T+: Very toxic | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50643-1-O | Hepatitis C Virus (cluster #1 Of 5), Other | Other | 3800 | 0.26 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50643 | Z50643 | Hepatitis C Virus | 3800 | 0.26 | Functional ≤ 10μM |
