| Identification | Back Directory | [Name]
(5E)-Calcipotriene | [CAS]
113082-99-8 | [Synonyms]
PRI 2205
(5E)-Calcipotriene
trans-Calcipotriol
5,6-trans-Calcipotriol
(1α,3β,5E,7E,22E,24S)-2
Calcipotriol Impurity C
Calcipotriol Impurity C ((5E)-Calcipotriene)
Calcipotriol EP Impurity C: (5E)-calcipotriol
Calcipotriol EP Impurity C ((5E)-Calcipotriene)
Calcipotriol EP Impurity C/5,6-trans-Calcipotriol
Calcipotriol Impurity 3(Calcipotriol EP Impurity C)
Calcipotriol EP Impurity C/5,6-trans-Calcipotriol/(5E)-Calcipotriene
(1alpha,3beta,5E,7E,22E,24S)-24-Cyclopropyl-9,10-Secochola-5,7,10(19),22-tetraene-1,3,24-triol
Calcipotriene Related Compound C ((5E,7E,22E,24S)-24-Cyclopropyl-9,10-secochola-5,7,10(19),22-tetraene-1alpha,3beta,24-triol)
(1S,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R,2E,4S)-4-Cyclopropyl-4-hydroxy-1-Methyl-2-buten-1-yl]octahydro-7a-Methyl-4H-inden-4-ylidene]ethylidene]-4-Methylene-1,3-cyclohexanediol
(1R,3S,E)-5-((E)-2-((1R,3aR,7aR)-1-((2R,5S,E)-5-cyclopropyl-5-hydroxypent-3-en-2-yl)-7a-Methyldihydro-1H-inden-4(2H,5H,6H,7H,7aH)-ylidene)ethylidene)-4-Methylenecyclohexane-1,3-diol
1,3-Cyclohexanediol, 5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R,2E,4S)-4-cyclopropyl-4-hydroxy-1-methyl-2-buten-1-yl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-, (1S,3S,5E)- | [Molecular Formula]
C27H40O3 | [MOL File]
113082-99-8.mol | [Molecular Weight]
412.6 |
| Chemical Properties | Back Directory | [Boiling point ]
582.0±50.0 °C(Predicted) | [density ]
1.12 | [storage temp. ]
4°C, protect from light, stored under nitrogen | [solubility ]
Chloroform (Slightly), Methanol (Slightly) | [form ]
Solid | [pka]
14.29±0.20(Predicted) | [color ]
White to Off-White | [Stability:]
Light Sensitive, Temperature Sensitive | [Major Application]
pharmaceutical (small molecule) | [InChIKey]
LWQQLNNNIPYSNX-LFDOYIGJSA-N | [SMILES]
[C@H]1(O)C/C(=C\C=C2/CCC[C@@]3(C)[C@@]/2([H])CC[C@@H]3[C@H](C)/C=C/[C@H](C2CC2)O)/C(=C)[C@@H](O)C1 |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS06 | [Signal word ]
Danger | [Hazard statements ]
H300 | [Precautionary statements ]
P264-P301+P310 | [WGK Germany ]
WGK 3 | [HS Code ]
2906195000 | [Storage Class]
6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials | [Hazard Classifications]
Acute Tox. 2 Oral |
| Hazard Information | Back Directory | [Chemical Properties]
White to Off-White Solid | [Uses]
The trans-isomeric impurity of Calcipotriene (C144200) and a vitamin D3 analogue with antitumor effects. |
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