Paricalcitol-d6 - ≥99% , CAS No.2070009-67-3

CAS: 2070009-67-3 Cat. No.: P649995 Formula: C₂₇H₃₈D₆O₃ Molecular Weight: 422.67 PubChem CID: 66577066

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Paricalcitol-d 6 is the deuterium labeled Paricalcitol. Paricalcitol is a agent used for the prevention and treatment of secondary hyperparathyroidism (excessive secretion of parathyroid hormone) associated with chronic renal failure.

Form:Solid

Specifications

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Paricalcitol-d 6 is the deuterium labeled Paricalcitol. Paricalcitol is a agent used for the prevention and treatment of secondary hyperparathyroidism (excessive secretion of parathyroid hormone) associated with chronic renal failure.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

ACTIVATOR

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CC(C=CC(C)C(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3)O)O)C
• IUPAC Name: (1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,2R,5S)-7,7,7-trideuterio-6-hydroxy-5-methyl-6-(trideuteriomethyl)hept-3-en-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
• InChIKey: BPKAHTKRCLCHEA-OYAGBYDGSA-N
• INCHI: 1S/C27H44O3/c1-18(8-9-19(2)26(3,4)30)24-12-13-25-21(7-6-14-27(24,25)5)11-10-20-15-22(28)17-23(29)16-20/h8-11,18-19,22-25,28-30H,6-7,12-17H2,1-5H3/b9-8+,21-11+/t18-,19+,22-,23-,24-,25+,27-/m1/s1/i3D3,4D3
• Isomeric SMILES: [2H]C([2H])([2H])C([C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C[C@@H](C3)O)O)C)(C([2H])([2H])[2H])O
• PubChem CID: 66577066
• MeSH Entry Terms: 19-nor-1,25-(OH)2D2;19-nor-1alpha,25-dihydroxyvitamin D2;paricalcitol;paricalcitol-d6;Zemplar
• Molecular Weight: 422.67

Chemical and Physical Properties

• Solubility: DMSO : 100 mg/mL (236.59 mM; Need ultrasonic)
• Molecular Weight: 422.700 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 422.367 Da
• Monoisotopic Mass: 422.367 Da
• Topological Polar Surface Area: 60.700 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 676.000
• Isotope Atom Count: 6
• Defined Atom Stereocenter Count: 7
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1

Frequently Asked Questions

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2070009-67-3, the molecular formula is C27H38D6O3, and the molecular weight is 422.67 g/mol. InChIKey BPKAHTKRCLCHEA-OYAGBYDGSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.