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1-Î2-Hydroxy Vitamin D2

CAT: 1459-CS-T-56535Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-T-56535Size:1 Each
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Description
1-Î2-Hydroxy Vitamin D2 is listed under Metabolite and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Doxercalciferol. The product is supplied by Clearsynth under CAT No. CS-T-56535. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
A new Vitamin D analog useful for treatment of osteoporosis, skin ulcer, and cancer
CAS Number
127516-23-8
Synonyms
1-Î2-Hydroxy Vitamin D2
Molecular Formula
C 28 H 44 O 2
Molecular Weight
412.7
Additionnal Information
1-β-Hydroxy Vitamin D2 is supplied with detailed characterization data compliant with regulatory guideline. 1-β-Hydroxy Vitamin D2 can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Doxercalciferol.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
A new Vitamin D analog useful for treatment of osteoporosis, skin ulcer, and cancer
HSN Code
38229010
Hazard Compound
Refer MSDS for accurate information.

Chemical Information

Impurity of Doxercalciferol
CAS Number127516-23-8
PubChem CID21767860
IUPAC Namecis-(1R,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Molecular FormulaC28H44O2
Molecular Weight412.6
XLogP6.3
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity712
SMILES
C[C@H](/C=C/[C@H](C)C(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
InChI
InChI=1S/C28H44O2/c1-18(2)19(3)9-10-20(4)25-13-14-26-22(8-7-15-28(25,26)6)11-12-23-16-24(29)17-27(30)21(23)5/h9-12,18-20,24-27,29-30H,5,7-8,13-17H2,1-4,6H3/b10-9+,22-11+,23-12-/t19-,20+,24+,25+,26-,27+,28+/m0/s1
InChIKey
HKXBNHCUPKIYDM-BLKIPSJVSA-N
Chemical Structure
2D Structure
2D structure of Impurity of Doxercalciferol
CAS: 127516-23-8
CID: 21767860
Formula: C28H44O2
MW: 412.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight412.6
XLogP36.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass412.334130642
Monoisotopic Mass412.334130642
Topological Polar Surface Area40.5 Ų
Heavy Atom Count30
Formal Charge0
Complexity712
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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