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(4R,4aS,7aS,12bS)-3-(cyclopropylmethyl)-7-methylene-1,2,3,4,5,6,7,7a-octahydro-4aH-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol hydrochloride | CAS No. 58895-64-0

(4R,4aS,7aS,12bS)-3-(cyclopropylmethyl)-7-methylene-1,2,3,4,5,6,7,7a-octahydro-4aH-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol hydrochloride

Basic Information

Chemical_Structure_Of
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CAS Number

58895-64-0

Molecular Formula

C21H26ClNO3

Molecular Weight

375.9 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers
Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds
Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates
Fine Chemicals Dyes and Pigments Organic Dyes
Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

180-185°

SMILES

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C=C1CCC2(C3CC4=C5C2(C1OC5=C(C=C4)O)CCN3CC6CC6)O.Cl

InChI

InChI=1S/C21H25NO3.ClH/c1-12-6-7-21(24)16-10-14-4-5-15(23)18-17(14)20(21,19(12)25-18)8-9-22(16)11-13-2-3-13;/h4-5,13,16,19,23-24H,1-3,6-11H2;1H/t16-,19+,20+,21-;/m1./s1

InChIKey

GYWMRGWFQPSQLK-OPHZJPRHSA-N

LogP

2.9343000000000017

pKa

7.63(at 25℃)

Topological Polar Surface Area

52.93000000000001 Ų

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

618

Synonyms & References

English

  • Nalmefene HCl
  • NALMEFENE HYDROCHLORIDE [VANDF]
  • NALMEFENE HYDROCHLORIDE (MART.)
  • NALMEFENE HYDROCHLORIDE [ORANGE BOOK]
  • Morphinan-3,14-diol, 17-(cyclopropylmethyl)-4,5-epoxy-6-methylene-, Hydrochloride,(5alpha)-
  • JF-1 HYDROCHLORIDE
  • CHEMBL1201152
  • 17-(Cyclopropylmethyl)-4,5alpha-epoxy-6-methylenemorphinan-3,14-diol,, hydrochloride
  • NALMEFENE HYDROCHLORIDE [MART.]
  • opvee
  • (5?)-17-(Cyclopropylmethyl)-4,5-epoxy-6-methylenemorphinan-3,14-diol hydrochloride
  • GYWMRGWFQPSQLK-OPHZJPRHSA-N
  • Nalmefene?hydrochloride
  • Morphinan-3,14-diol, 17-(cyclopropylmethyl)-4,5-epoxy-6-methylene-, hydrochloride, (5alpha)-
  • 17-cyclopropylmethyl-4,5a-epoxy-6-methylenemorphinan-3,14-diol
  • DTXCID901030833
  • NALMEFENE HYDROCHLORIDE [WHO-DD]
  • BCP08346
  • (4R,4aS,7aS,12bS)-3-(cyclopropylmethyl)-7-methylidene-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol;hydrochloride
  • Nalmefene hydrochloride
  • (4R,4aS,7aS,12bS)-3-(cyclopropylmethyl)-7-methylene-1,2,3,4,5,6,7,7a-octahydro-4aH-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol hydrochloride
  • NALMEFENE HYDROCHLORIDE [MI]
  • AKOS016340557
  • Q27282058
  • HS-0037
  • SR-01000000007-2
  • CCG-221179
  • SR-01000000007
  • (1S,5R,13S,17S)-4-(cyclopropylmethyl)-14-methylidene-12-oxa-4-azapentacyclo[9.6.1.0,.0,.0,octadeca-7(18),8,10-triene-10,17-diol hydrochloride
  • Revex
  • 17-(Cyclopropylmethyl)-4,5alpha-epoxy-6-methylenemorphinan-3,14-diol, , hydrochloride

MDL Number

MFCD07772293

FAQ

What are the physical and chemical properties of (4R,4aS,7aS,12bS)-3-(cyclopropylmethyl)-7-methylene-1,2,3,4,5,6,7,7a-octahydro-4aH-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol hydrochloride (CAS: 58895-64-0)?
This compound is a hydrochloride salt with a crystalline form. It has a molecular weight of approximately 506.71 g/mol and is slightly soluble in water. Chemically, it is reactive towards bases and can undergo hydrolysis. It has a low volatility and is stable under normal conditions.

How is (4R,4aS,7aS,12bS)-3-(cyclopropylmethyl)-7-methylene-1,2,3,4,5,6,7,7a-octahydro-4aH-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol hydrochloride (CAS: 58895-64-0) typically synthesized?
The compound is typically synthesized through a multistep process involving the condensation of appropriate precursors followed by methylene insertion and hydrochloride formation. Commonly, palladium-based catalysts are used for the efficient synthesis with good yield and selectivity.

What industries use (4R,4aS,7aS,12bS)-3-(cyclopropylmethyl)-7-methylene-1,2,3,4,5,6,7,7a-octahydro-4aH-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol hydrochloride (CAS: 58895-64-0)?
This compound may find applications in pharmaceutical industries due to its potential biological activities. It could also be used in the development of sensors and in semiconductor applications due to its electronic properties.

What precautions should be taken when handling (4R,4aS,7aS,12bS)-3-(cyclopropylmethyl)-7-methylene-1,2,3,4,5,6,7,7a-octahydro-4aH-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol hydrochloride (CAS: 58895-64-0)?
Proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. Work should be conducted in a fume hood to minimize exposure. Spills should be handled carefully, using appropriate absorbent materials, and waste should be disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions.

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Supplier Information

(4R,4aS,7aS,12bS)-3-(cyclopropylmethyl)-7-methylene-1,2,3,4,5,6,7,7a-octahydro-4aH-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol hydrochloride — ShangHaiYiJiShengWuKeJiYouXianGongSiXiaoShouBu

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(4R,4aS,7aS,12bS)-3-(cyclopropylmethyl)-7-methylene-1,2,3,4,5,6,7,7a-octahydro-4aH-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol hydrochloride — Wuhan Foton Weiyan Technology Co., Ltd.

Wuhan Foton Weiyan Technology Co., Ltd.

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Guangzhou Jicheng Import and Export Trade Co., Ltd.

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(4R,4aS,7aS,12bS)-3-(cyclopropylmethyl)-7-methylene-1,2,3,4,5,6,7,7a-octahydro-4aH-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol hydrochloride — HePeng （ ShangHai ） Biotechnology Co Ltd

HePeng （ ShangHai ） Biotechnology Co Ltd

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Hainan Fufangyuan Medicine Co., Ltd.

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(4R,4aS,7aS,12bS)-3-(cyclopropylmethyl)-7-methylene-1,2,3,4,5,6,7,7a-octahydro-4aH-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol hydrochloride — Shanghai Hanxiang Biotechnology Co., Ltd.

Shanghai Hanxiang Biotechnology Co., Ltd.

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(4R,4aS,7aS,12bS)-3-(cyclopropylmethyl)-7-methylene-1,2,3,4,5,6,7,7a-octahydro-4aH-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol hydrochloride — Shanghai Yuyeh Biotechnology Co., Ltd.

Shanghai Yuyeh Biotechnology Co., Ltd.

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ShenZhenShiZhongFaYuan Biotechnology Co Ltd

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