ChemicalBook--->CAS DataBase List--->112827-99-3

112827-99-3

112827-99-3 Structure

112827-99-3 Structure
IdentificationBack Directory
[Name]

24R-Calcipotriol
[CAS]

112827-99-3
[Synonyms]

PRI 2202
24R-Calcipotriol
(24R)-Calcipotriene
Calcipotriol impurity D
IMpurity D of Calcipotriol
Calcipotriol EP Impurity D
Impurity D of Calcipotriol (PRI 2202)
Calcipotriol EP Impurity D/(24R)-Calcipotriene
Calcipotriol EP Impurity D: 24-epi-calcipotriol
Calcipotriol Impurity 4(Calcipotriol EP Impurity D)
(1alpha,3beta,5Z,7E,22E,24R)-24-Cyclopropyl-9,10-secochola-5,7,10(19),22-tetraene-1,3,24-triol
20(R)-(3'(R)-cyclopropyl-3'-hydroxyprop-1'(E)-enyl)-1(S),3(R)-dihydroxy-9,10-secopregna-5(Z),7(E),10(19)-triene
5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R,2E,4R)-4-Cyclopropyl-4-hydroxy-1-methyl-2-buten-1-yl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-1,3-cyclohexanediol
1,3-Cyclohexanediol, 5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R,2E,4R)-4-cyclopropyl-4-hydroxy-1-methyl-2-buten-1-yl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-, (1S,3S,5Z)-
Calcipotriol EP Impurity D/(24R)-Calcipotriene/(1R,3S,Z)-5-(2-((1R,3aS,7aR,E)-1-((2R,5R,E)-5-Cyclopropyl-5-hydroxypent-3-en-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol
[Molecular Formula]

C27H40O3
[MDL Number]

MFCD25541648
[MOL File]

112827-99-3.mol
[Molecular Weight]

412.6
Chemical PropertiesBack Directory
[Boiling point ]

582.0±50.0 °C(Predicted)
[density ]

1.12±0.1 g/cm3(Predicted)
[storage temp. ]

-20°C, protect from light, stored under nitrogen,unstable in solution, ready to use.
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Powder
[pka]

14.29±0.20(Predicted)
[color ]

White
[Stability:]

Light sensitive, Temperature sensitive
[InChIKey]

LWQQLNNNIPYSNX-JVKFFHQNSA-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 DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)Health Hazard (GHS08)
GHS06,GHS08
[Signal word ]

Danger
[Hazard statements ]

H300-H311-H331-H373
[Precautionary statements ]

P261-P264-P280-P301+P310-P311
Hazard InformationBack Directory
[Uses]

(24R)-Calcipotriene is a synthetic analogs of vitamin D that was studied for its potential antitumor effects. Studies has shown the combined treatment with vitamin D analog (24R)-Calcipotriene was more effective than the treatment with cytostatics applied alone. (24R)-Calcipotriene is also the 24-R epimer of Calcipotriene (C144200).
[storage]

-20°C, protect from light, stored under nitrogen,unstable in solution, ready to use.
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