(3S)-2-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid;hydrochloride

Basic Information

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CAS Number

82586-52-5

Molecular Formula

C27H35ClN2O7

Molecular Weight

535.04 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

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

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

141-161°C

Solubility

H2O: soluble32mg/mL

Specific Rotation

+34.2° (c=1.1, in ethanol)

SMILES

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CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC3=CC(=C(C=C3CC2C(=O)O)OC)OC.Cl

InChI

InChI=1S/C27H34N2O7.ClH/c1-5-36-27(33)21(12-11-18-9-7-6-8-10-18)28-17(2)25(30)29-16-20-15-24(35-4)23(34-3)14-19(20)13-22(29)26(31)32;/h6-10,14-15,17,21-22,28H,5,11-13,16H2,1-4H3,(H,31,32);1H/t17-,21-,22-;/m0./s1

InChIKey

JXRAXHBVZQZSIC-JKVLGAQCSA-N

LogP

3.006100000000001

Topological Polar Surface Area

114.4 Å²

Hydrogen Bond Donor/Acceptor

2 / 9

Complexity

742

Safety Information

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GHS Hazard Pictograms

H400

Hazard Statement

H400 Very toxic to aquatic life
Hazardous to the aquatic environment, acute hazard

Synonyms & References

English

SPM-925
CCG-269939
JXRAXHBVZQZSIC-JKVLGAQCSA-N
SMR002533645
(3S)-2-[(2S)-2-[[(1S)-1-ethoxycarbonyl-3-phenyl-propyl]amino]propanoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid hydrochloride
(S)-2-(((S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl)-L-alanyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride
MOEXIPRIL HYDROCHLORIDE [MART.]
Moexipril HCl- Bio-X
3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-(2-((1-(ethoxycarbonyl)-3-phenylpropyl)amino)-1-oxopropyl)-, monohydrochloride, (3S-(2(R*(R*)),3R*))-
CHEMBL1200534
s2079
Moexipril (hydrochloride)
SCHEMBL40877
Univasc (TN)
MLS003882580
Q27286898
MOEXIPRIL HYDROCHLORIDE [WHO-DD]
2-[(2S)-2-[[(1S)-1-(Ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylic acid hydrochloride
AKOS016340373
UNII-Q1UMG3UH45
SPM 925
NCGC00263546-01
MOEXIPRIL HYDROCHLORIDE (MART.)
(3S)-2-((2S)-2-(((1S)-1-(ETHOXYCARBONYL)-3-PHENYLPROPYL)AMINO)-1-OXOPROPYL)-1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-3-ISOQUINOLINECARBOXYLIC ACID HYDROCHLORIDE
Tox21_112590_1
CHEBI:6961
DTXSID7044267
BS-1007
Univasc
RS-10085-197
Moexipril hydrochloride, powder, >=98% (HPLC)

MDL Number

MFCD00940481

FAQ

What regulatory guidelines apply to (3S)-2-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid;hydrochloride (CAS: 82586-52-5)?

This compound is subject to the Globally Harmonized System (GHS) of Classification and Labelling of Chemicals, REACH regulations in the EU, and FDA/EPA requirements in the US. It is classified as a pharmaceutical intermediate and should comply with relevant toxicological and environmental regulations.

Are there alternatives to (3S)-2-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid;hydrochloride (CAS: 82586-52-5) in synthesis?

Synthetic alternatives include using similar isoquinoline derivatives or substituting the amino acid component with isomers or analogs. Common reagents include ethyl chloroformate or other amino acid precursors, but careful selection is necessary to ensure desired properties.

What is the market or research trend for (3S)-2-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid;hydrochloride (CAS: 82586-52-5)?

Research trends focus on its use as a pharmaceutical intermediate, particularly in antiviral and anti-inflammatory drug development. Market trends indicate increasing demand due to advancements in medicinal chemistry and biopharmaceutical research.

How should waste containing (3S)-2-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid;hydrochloride (CAS: 82586-52-5) be handled?

Waste should be collected in appropriate containers, labeled with the CAS number, and disposed of through professional waste management services. Incineration or chemical neutralization methods are suitable for safe disposal, ensuring compliance with environmental and safety regulations.