ChemicalBook--->CAS DataBase List--->103909-75-7

103909-75-7

103909-75-7 Structure

103909-75-7 Structure
IdentificationBack Directory
[Name]

Maxacalcitol
[CAS]

103909-75-7
[Synonyms]

MAXACALCITOL
Oxacalcitriol
Maxacalcitol (22-Oxacalcitriol)
22-Oxa-1α,25-dihydroxycholecalciferol
(5Z,7E)-9,10-Seco-22-oxacholesta-5,7,10(19)-triene-1α,3β,25-triol
(+)-(5Z,7E)-(1S,3R,20S)-20-(3-Hydroxy-3-methylbutyloxy)-9,10-secopregna-5,7,10(19)-triene-1,3-diol
4-methylene-5Z-[2E-[(3aS)-octahydro-1S-[1S-(3-hydroxy-3-methylbutoxy)ethyl]-7aS-methyl-4H-inden-4-ylidene]ethylidene]-1R,3S-cyclohexanediol
(1R,3S,Z)-5-(2-((1S,3aS,7aS,E)-1-((S)-1-(3-hydroxy-3-methylbutoxy)ethyl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol
(1R,3S,5Z)-4-Methylene-5-[(2E)-2-[(1S,3aS,7aS)-octahydro-1-[(1S)-1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-1,3-cyclohexanediol
1,3-Cyclohexanediol, 4-methylene-5-[(2E)-2-[(1S,3aS,7aS)-octahydro-1-[(1S)-1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-, (1R,3S,5Z)-
(1R,3S,5Z)-5-[(2E)-2-[(1S,3aS,7aS)-1-[(1S)-1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
[EINECS(EC#)]

234-317-2
[Molecular Formula]

C26H42O4
[MDL Number]

MFCD00871502
[MOL File]

103909-75-7.mol
[Molecular Weight]

418.61
Chemical PropertiesBack Directory
[Melting point ]

122°
[alpha ]

D20 +49.4° (c = l.00 in ethanol)
[Boiling point ]

581.4±50.0 °C(Predicted)
[density ]

1.09±0.1 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

Soluble in DMSO
[form ]

crystalline solid
[pka]

14.43±0.40(Predicted)
[InChIKey]

DTXXSJZBSTYZKE-ZDQKKZTESA-N
[SMILES]

[C@@H]1(O)C/C(=C/C=C2\CCC[C@@]3(C)[C@@]\2([H])CC[C@@H]3[C@@H](OCCC(O)(C)C)C)/C(=C)[C@@H](O)C1
Hazard InformationBack Directory
[Description]

Maxacalcitol is the third synthetic vitamin D analog, after paricalcitol and doxercalciferol, to be marketed for the treatment of secondary hyperparathyroidism (SHPT) associated with chronic renal failure. It is a new vitamin D3 derivative with an oxygen atom in 22-position as main structural feature (22-oxacalcitriol, OCT). This vitamin D receptor agonist has a strong inhibitory effect on synthesis and secretion of parathyroid hormone in the setting of severe parathyroid hyperplasia. Maxacalcitol induced only minor effects on calcium and phosphate metabolism unlike an agent such as 1, 25(OH)2D3 that produced hypercalcemia and hyperphosphatemia. Maxacalcitol is.
[Originator]

Chugai (Japan)
[Uses]

22-Oxacalcitriol is the noncalcemic analogue of vitamine D and was found to suppress parathyroid hormone synthesis and secretion.
[Definition]

ChEBI: Maxacalcitol is an organic molecular entity.
[Brand name]

Prezios (Chugai Pharmaceutical Co., Ltd., Japan);Prezios, Oxarol.
[storage]

Store at -20°C,unstable in solution, ready to use.
Spectrum DetailBack Directory
[Spectrum Detail]

Maxacalcitol(103909-75-7)1HNMR
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