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Eldecalcitol

Eldecalcitol / CAS : 104121-92-8

Appearance White powder UN -
HS - DG Class -
Synonyms 2-(3-Hydroxypropoxy)-1,25-Dihydroxyvitamin D3; (1R,Z)-5-((E)-2-((1R,7aR)-1-((R)-6-Hydroxy-6-Methylheptan-2-yl)-7a-Methylhexahydro-1H-Inden-4(2H)-Ylidene)Ethylidene)-2-(3-Hydroxypropoxy)-4-Methylenecyclohexane-1,3-diol1Alpha,25-Dihydroxy-2beta-(3-Hydroxypropoxy)Vitamin D3; (1S,2S,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-Hydroxy-6-Methylheptan-2-yl]-7a-Methyl-2,3,3a,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-2-(3-Hydroxypropoxy)-4-Methylidenecyclohexane-1,3-diol
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Properties

Summary

Formula
C30H50O5
Molecular Mass
490.71500
Exact Mass
490.36600
PSA
90.15000
Logp
5.08220
IUPAC
(1R,2R,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-(3-hydroxypropoxy)-4-methylidenecyclohexane-1,3-diol
SMILES
CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(C(C(C3=C)O)OCCCO)O)C

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Inhibitors

Chemical and Physical Properties

Melting Point
126-128ºC
Density
1.1g/cm3
Boiling Point
655.7ºC at 760mmHg
Flash Point
350.3ºC
Appearance
White powder

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