(5alpha,6beta)-17-(2-Phenylethyl)-4,5-epoxymorphinan-3,6,14-triol hydrochloride (1:1) | CAS No. 5013-01-4

(5alpha,6beta)-17-(2-Phenylethyl)-4,5-epoxymorphinan-3,6,14-triol hydrochloride (1:1)

Basic Information

CAS Number

5013-01-4

Molecular Formula

C24H28ClNO4

Molecular Weight

429.94 g/mol

AD

Basic Physical Properties

c1ccc(cc1)CCN2CC[C@]34c5c6ccc(c5O[C@H]3[C@@H](CC[C@]4([C@H]2C6)O)O)O.Cl

InChI

InChI=1S/C24H27NO4.ClH/c26-17-7-6-16-14-19-24(28)10-8-18(27)22-23(24,20(16)21(17)29-22)11-13-25(19)12-9-15-4-2-1-3-5-15;/h1-7,18-19,22,26-28H,8-14H2;1H/t18-,19-,22+,23+,24-;/m1./s1

InChIKey

SQDHJNHUMXSVCJ-OFNSMXRKSA-N

LogP

2.5717000000000025

Topological Polar Surface Area

73.16000000000001 Ų

Hydrogen Bond Donor/Acceptor

3 / 5

Synonyms & References

English

  • Pueraria Flarones
  • TIANFU-CHEM KUDZU ROOT P.E
  • Radix Puerariae

FAQ

What are the physical and chemical properties of (5alpha,6beta)-17-(2-Phenylethyl)-4,5-epoxymorphinan-3,6,14-triol hydrochloride (CAS: 5013-01-4)?

(5alpha,6beta)-17-(2-Phenylethyl)-4,5-epoxymorphinan-3,6,14-triol hydrochloride is a crystalline compound with a molecular weight of approximately 454.45 g/mol. It is slightly soluble in water and ethanol. The compound is relatively stable under normal conditions but may hydrolyze in strongly acidic or basic environments. It is used in pharmaceutical applications and exhibits good solubility in organic solvents like dimethyl sulfoxide (DMSO).

How is (5alpha,6beta)-17-(2-Phenylethyl)-4,5-epoxymorphinan-3,6,14-triol hydrochloride (CAS: 5013-01-4) typically synthesized?

(5alpha,6beta)-17-(2-Phenylethyl)-4,5-epoxymorphinan-3,6,14-triol hydrochloride is typically synthesized via a multistep process involving epoxidation of a morphinan derivative followed by coupling with a phenylethyl chloride. The synthesis often requires the use of catalysts such as titanium tetrachloride and is performed under anhydrous conditions. Yield is generally around 70-80%, with good selectivity for the desired product.

What industries use (5alpha,6beta)-17-(2-Phenylethyl)-4,5-epoxymorphinan-3,6,14-triol hydrochloride (CAS: 5013-01-4)?

(5alpha,6beta)-17-(2-Phenylethyl)-4,5-epoxymorphinan-3,6,14-triol hydrochloride is primarily used in the pharmaceutical industry for the development of analgesic and antitussive drugs. It is also explored for its potential in sensor technologies and as a component in certain polymer formulations.

What precautions should be taken when handling (5alpha,6beta)-17-(2-Phenylethyl)-4,5-epoxymorphinan-3,6,14-triol hydrochloride (CAS: 5013-01-4)?

(5alpha,6beta)-17-(2-Phenylethyl)-4,5-epoxymorphinan-3,6,14-triol hydrochloride should be handled in a well-ventilated area, preferably under a fume hood. PPE such as gloves and safety glasses should be worn. Spills should be contained and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and storage instructions.

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