Evodiamine | CAS No. 518-17-2

Evodiamine

Basic Information

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CAS Number

518-17-2

Molecular Formula

C19H17N3O

Molecular Weight

303.4 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Basic Physical Properties

Physical State

Powder

Melting Point

278°

Boiling Point

444.29°C (rough estimate)

Flash Point

575.1 °C at 760 mmHg

Solubility

Methanol,DMSO,Dichloromethane

Refractive Index

1.5900 (estimate)

Specific Rotation

D15 +352° (acetone); D +440° (chloroform)

SMILES

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CN1C2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=CC=CC=C5N3

InChI

InChI=1S/C19H17N3O/c1-21-16-9-5-3-7-14(16)19(23)22-11-10-13-12-6-2-4-8-15(12)20-17(13)18(21)22/h2-9,18,20H,10-11H2,1H3/t18-/m0/s1

InChIKey

TXDUTHBFYKGSAH-SFHVURJKSA-N

LogP

3.314800000000001

Topological Polar Surface Area

39.34 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

495

Safety Information

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GHS Hazard Pictograms

H300

Hazard Statement

H300 Fatal if swallowed
Acute toxicity, oral

Hazard Class

Class 6.1 Class 6.1

Storage Conditions

2-8℃

Sensitiveness

photosensitive

Synonyms & References

English

(S)-14-methyl-7,8,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(13H)-one
(1S)-21-methyl-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15,17,19-heptaen-14-one
C09187
EVODIAMINE [WHO-DD]
d-Evodiamine
Evodiamine, European Pharmacopoeia (EP) Reference Standard
518-17-2
MLS006011787
Evodiamine
Q-100579
SMR001934404
Q27894193
CHEBI:4948
INDOLO(2',3':3,4)PYRIDO(2,1-B)QUINAZOLIN-5(7H)-ONE, 8,13,13B,14-TETRAHYDRO-14-METHYL-, (13BS)-
Evodiamine,(S)
(+)-Evodiamine
SCHEMBL682158
BCP02282
EVODIAMINE [MI]
BDBM50560847
CHEMBL463165
Evodiamine, (+)-
AKOS005622478
HY-N0114
C19H17N3O
Indol(2',3':3,4)pyrido(2,1-b)quinazolin-5(7H)-one, 8,13,13b,14-tetrahydro-14-methyl-, (S)-
(S)-14-methyl-8,13,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one
VS-12304
UNII-C01825BVNL
C01825BVNL
(1S)-21-METHYL-3,13,21-TRIAZAPENTACYCLO[11.8.0.0(2),(1)?.0?,?.0(1)?,(2)?]HENICOSA-2(10),4,6,8,15,17,19-HEPTAEN-14-ONE

MDL Number

MFCD06407824

FAQ

What is Evodiamine (CAS: 518-17-2)?

Evodiamine is a naturally occurring alkaloid derived from the dried fruit of the Evodia rutaecarpa plant, commonly known as Chinese prickly ash. It has the chemical formula C20H24N2O2 and is characterized by its pungent odor and yellowish-brown color. Evodiamine is a bioactive compound with a range of pharmacological properties, including anti-inflammatory, analgesic, and antitumor effects.

What are the main uses of Evodiamine (CAS: 518-17-2)?

Evodiamine is primarily used in pharmaceutical research for its potential therapeutic applications, such as treating inflammation, pain, and cancer. It also finds use in the food industry as a flavoring agent and in traditional medicine for digestive and respiratory support. Additionally, it is studied for its role in drug development and as a research tool in biochemistry and pharmacology.

Is Evodiamine (CAS: 518-17-2) safe?

Evodiamine is generally considered safe when used in appropriate amounts and under controlled conditions. However, it may cause adverse effects if ingested in high concentrations or mishandled. Safety guidelines recommend proper protective equipment during handling, and it should be used with caution in medicinal applications. Regulatory standards ensure its safe use in approved products.

How should Evodiamine (CAS: 518-17-2) be stored?

Evodiamine should be stored in a cool, dry, and dark place, ideally at temperatures below 25°C. It is sensitive to moisture and light, so it should be kept in a sealed container with desiccant to maintain stability. Proper storage helps preserve its chemical integrity and extends its shelf life for both research and industrial purposes.