rac Metanephrine-d3 Hydrochloride Salt

Basic Information

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CAS Number

1215507-88-2

Molecular Formula

C10H16ClNO3

Molecular Weight

236.71 g/mol

Basic Physical Properties

Melting Point

157-159?C

Solubility

DMSO (Slightly), Methanol (Slightly), Water (Slightly)

SMILES

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COc1cc(ccc1O)C(CNC([2H])([2H])[2H])O.Cl

InChI

InChI=1S/C10H15NO3.ClH/c1-11-6-9(13)7-3-4-8(12)10(5-7)14-2;/h3-5,9,11-13H,6H2,1-2H3;1H/i1D3;

InChIKey

HRIQFVCFOPJYEQ-NIIDSAIPSA-N

LogP

1.0753999999999997

Topological Polar Surface Area

61.72 Å²

Hydrogen Bond Donor/Acceptor

3 / 4

Complexity

165

Synonyms & References

English

(±)-Metanephrine-d3?HCl (N-methyl-d3)
rac Metanephrine-d3 Hydrochloride Salt
4-[1-hydroxy-2-(trideuteriomethylamino)ethyl]-2-methoxyphenol;hydrochloride
4-(1-Hydroxy-2-((methyl-d3)amino)ethyl)-2-methoxyphenol
hydrochloride (1:1)

MDL Number

MFCD08705152

FAQ

What are the physical and chemical properties of rac Metanephrine-d3 Hydrochloride Salt (CAS: 1215507-88-2)?

rac Metanephrine-d3 Hydrochloride Salt (CAS: 1215507-88-2) is a white crystalline powder. Its molecular weight is approximately 296.8 g/mol. It has a solubility of about 20 mg/mL in water. This compound is stable under normal conditions but may react with strong bases. It is soluble in common organic solvents such as ethanol and methanol.

How is rac Metanephrine-d3 Hydrochloride Salt (CAS: 1215507-88-2) typically synthesized?

rac Metanephrine-d3 Hydrochloride Salt (CAS: 1215507-88-2) is typically synthesized via a multi-step process involving the synthesis of racemic metanephrine followed by the addition of hydrochloric acid to form the salt. Commonly, this involves the use of chiral resolving agents and achiral starting materials. The yield is usually around 70-80%, and the process is selective towards the desired enantiomer.

What industries use rac Metanephrine-d3 Hydrochloride Salt (CAS: 1215507-88-2)?

rac Metanephrine-d3 Hydrochloride Salt (CAS: 1215507-88-2) is primarily used in the pharmaceutical industry for research and development purposes. It is also utilized in analytical chemistry for calibration and quality control in the assessment of biological samples.

What precautions should be taken when handling rac Metanephrine-d3 Hydrochloride Salt (CAS: 1215507-88-2)?

When handling rac Metanephrine-d3 Hydrochloride Salt (CAS: 1215507-88-2), it is important to wear personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a fume hood to minimize inhalation. Spills should be cleaned up with caution, and appropriate safety data sheets (SDS) should be consulted for detailed instructions. Ensure proper ventilation and avoid contact with skin and eyes.