N-Methylcoclaurine

Basic Information

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CAS Number

1472-62-4

Molecular Formula

C18H21NO3

Molecular Weight

299.37 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

SMILES

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CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)O)OC

InChI

InChI=1S/C18H21NO3/c1-19-8-7-13-10-18(22-2)17(21)11-15(13)16(19)9-12-3-5-14(20)6-4-12/h3-6,10-11,16,20-21H,7-9H2,1-2H3

InChIKey

BOKVLBSSPUTWLV-UHFFFAOYSA-N

LogP

2.8781000000000025

Topological Polar Surface Area

52.93000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

356

Synonyms & References

English

7-Isoquinolinol,1,2,3,4-tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-
(+/-)-N-methyl coclaurine
( inverted exclamation markA)-N-Methylcoclaurine
CHEMBL453292
AKOS004902126
DivK1c_006119
SCHEMBL12807819
Spectrum3_001333
Spectrum_000537
NCGC00094788-02
KBio2_003585
BDBM50478459
HY-155879
BSPBio_003085
1472-62-4
1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
SpecPlus_000023
KBioSS_001017
CS-0889599
KBio2_001017
BRD-A96046954-001-01-9
Spectrum4_001494
KBio3_002305
KBio2_006153
NCGC00094788-01
Spectrum5_000227
N-Methylcoclaurine
METHYL COCLAURINE
KBioGR_002127
1-[(4-Hydroxyphenyl)methyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol
DL-N-methylcoclaurine

FAQ

What regulatory guidelines apply to N-Methylcoclaurine (CAS: 1472-62-4)?

N-Methylcoclaurine (CAS: 1472-62-4) is subject to various regulatory guidelines, including GHS classification for hazardous chemicals, REACH regulations in the European Union for registration, evaluation, authorization, and restriction of chemicals, and FDA/EPA requirements for safety and environmental protection. Manufacturers and handlers should comply with relevant local and international regulations to ensure proper handling and disposal.

Are there alternatives to N-Methylcoclaurine in synthesis?

N-Methylcoclaurine (CAS: 1472-62-4) can have alternatives in synthesis, depending on the specific application. For example, analogs such as N-Methylcorynantheidine or other closely related alkaloids can be used as substitutes. Additionally, alternative reagents like other natural or synthetic alkaloids might be considered based on the desired chemical structure and properties.

What is the market or research trend for N-Methylcoclaurine (CAS: 1472-62-4)?

The market for N-Methylcoclaurine (CAS: 1472-62-4) shows interest in its potential medicinal applications, particularly in pain management and anti-inflammatory research. Recent trends indicate a focus on exploring its pharmacological properties and developing new formulations. Additionally, research is ongoing to understand its role in drug development and to identify potential side effects and interactions.

How should waste containing N-Methylcoclaurine (CAS: 1472-62-4) be handled?

Waste containing N-Methylcoclaurine (CAS: 1472-62-4) should be collected in appropriate containers and stored in a secure, well-labeled area. For disposal, it is recommended to use professional waste disposal services that adhere to local and international regulations. Incineration or chemical treatment might be necessary to ensure complete degradation, followed by environmental monitoring to confirm compliance with safety standards.