Impurity C of Calcitriol

Basic Information

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CAS Number

86307-44-0

Molecular Formula

C35H49N3O5

Molecular Weight

591.78 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Density

1.27±0.1 g/cm3 (20 ºC 760 Torr),

Solubility

Insuluble (9.5E-4 g/L) (25 ºC),

SMILES

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CC1=C(CC(CC1O)O)C2C=C3C4CCC(C4(CCC3N5N2C(=O)N(C5=O)C6=CC=CC=C6)C)C(C)CCCC(C)(C)O

InChI

InChI=1S/C35H49N3O5/c1-21(10-9-16-34(3,4)43)27-13-14-28-26-20-30(25-18-24(39)19-31(40)22(25)2)38-33(42)36(23-11-7-6-8-12-23)32(41)37(38)29(26)15-17-35(27,28)5/h6-8,11-12,20-21,24,27-31,39-40,43H,9-10,13-19H2,1-5H3

InChIKey

AYDPRRXRNSGAGP-UHFFFAOYSA-N

LogP

5.058600000000005

Topological Polar Surface Area

109.61999999999999 Å²

Hydrogen Bond Donor/Acceptor

3 / 8

Complexity

1170

Synonyms & References

English

pre-Calcitriol PTAD Adduct
pre-Calcitriol PTAD Adduct (Mixture of Diastereomers)
1H,5H-Cyclopenta[f][1,2,4]triazolo[1,2-a]cinnoline-1,3(2H)-dione, 11-(3,5-dihydroxy-2-methyl-1-cyclohexen-1-yl)-4a,6,6a,7,8,9,9a,11-octahydro-7-(5-hydroxy-1,5-dimethylhexyl)-6a-methyl-2-phenyl-, [4aR-
pre-Calcitriol PTAD Adduct (Mixture of Diastereomers)
Impurity C of Calcitriol
AKOS030526942
MS-30534
86307-44-0
CS-1177
HY-13293
(1R,7S,10R,13R,14R)-7-[(3S,5R)-3,5-dihydroxy-2-methylcyclohexen-1-yl]-13-[(2R)-6-hydroxy-6-methylheptan-2-yl]-14-methyl-4-phenyl-2,4,6-triazatetracyclo[7.7.0.02,6.010,14]hexadec-8-ene-3,5-dione

MDL Number

MFCD22124487

FAQ

What is Impurity C of Calcitriol (CAS: 86307-44-0)?

Impurity C of Calcitriol (CAS: 86307-44-0) is a minor impurity found in the pharmaceutical compound calcitriol, which is a form of vitamin D3. It is not typically used standalone but is present in trace amounts to ensure the purity of calcitriol pharmaceutical preparations.

What are the main uses of Impurity C of Calcitriol (CAS: 86307-44-0)?

Impurity C of Calcitriol (CAS: 86307-44-0) is primarily used in pharmaceutical applications as a quality control impurity to ensure the purity of calcitriol, a vitamin D3 analogue used for the treatment of osteoporosis and secondary hyperparathyroidism.

Is Impurity C of Calcitriol (CAS: 86307-44-0) safe?

Impurity C of Calcitriol (CAS: 86307-44-0) is considered safe when present in trace amounts in calcitriol pharmaceutical preparations. However, long-term exposure to high levels of impurities may pose health risks. Proper handling and storage should be followed to minimize exposure.

How should Impurity C of Calcitriol (CAS: 86307-44-0) be stored?

Impurity C of Calcitriol (CAS: 86307-44-0) should be stored in a cool, dry place away from direct sunlight and moisture. It should be kept in a tightly sealed container to prevent degradation. Temperature should be maintained between 15°C and 25°C to ensure stability.