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Alfacalcidol

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Alfacalcidol / CAS : 41294-56-8

Appearance White crystalline solid UN 2811
HS 29072990 DG Class 6.1(a)
Synonyms Alphacalcidol; Alfarol; Bondiol; Etalpha; Alpha-Calcidol; One-Alpha; Alfacalcidolum; Oxydevit; 1Alpha-Hydroxy-Vitamin D3; 1-Hydroxyvitamin D3; Un-Alpha
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Properties

Summary

Formula
C27H44O2
Molecular Mass
400.63700
Exact Mass
400.33400
PSA
40.46000
Logp
6.58980
IUPAC
(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
SMILES
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C/C=C/3\C[C@H](C[C@@H](C3=C)O)O)C

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Vitamins And Minerals Medicines

Chemical and Physical Properties

Melting Point
134-136°C
Density
1.01 g/cm3
Boiling Point
531.5ºC at 760 mmHg
Flash Point
222.6ºC
Appearance
White crystalline solid
Acidity and Basicity
neutral

Export information

HS Code
29072990
Export Rebate
13%
UN No.
2811
DG-Class
6.1(a)
Risk Code
R26/27/28
Safety Label
T+; Xi

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