Methyl 12-methoxyibogamine-18-carboxylate

Basic Information

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CAS Number

510-22-5

Molecular Formula

C22H28N2O3

Molecular Weight

368.48 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

Basic Physical Properties

Physical State

Powder

Melting Point

223-224 ºC (dec.)

SMILES

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CCC1CC2CC3(C1N(C2)CCC4=C3NC5=C4C=C(C=C5)OC)C(=O)OC

InChI

InChI=1S/C22H28N2O3/c1-4-14-9-13-11-22(21(25)27-3)19-16(7-8-24(12-13)20(14)22)17-10-15(26-2)5-6-18(17)23-19/h5-6,10,13-14,20,23H,4,7-9,11-12H2,1-3H3/t13-,14+,20+,22-/m1/s1

InChIKey

MMAYTCMMKJYIAM-PHKAQXKASA-N

LogP

3.2638000000000025

Topological Polar Surface Area

54.56 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

598

Synonyms & References

English

Voacangine
MMAYTCMMKJYIAM-RUGRQLENSA-N
methyl ethyl(methoxy)[?]carboxylate
DTXSID50965276
Carbomethoxyibogaine
Ibogamine-18-carboxylic acid, 12-methoxy-, methyl ester
UNII-9SY76D3YUK
methyl (6xi)-12-methoxy-2alpha-ibogamine-18-carboxylate
Methyl (1S)-3,13-diaza-17-ethyl-7-methoxypentacyclo[13.3.1.0<2,10>.0<4,9>.0<13,18>]nonadeca-2(10),4,6,8-tetraenecarboxylate
CHEMBL182120
(-)-Voacangine
9SY76D3YUK
510-22-5
CHEBI:141966
methyl (1S,15S,17S,18S)-17-ethyl-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate
FS-7615
12-Methoxyibogamine-18-carboxylic acid methyl ester
BDBM50329104
Methyl 12-methoxyibogamine-18-carboxylate
Ibogamine-18-carboxylicacid, 12-methoxy-, methyl ester
12-methoxy-ibogamine-18-carboxylic acid methyl ester

MDL Number

MFCD00077210

FAQ

What are the physical and chemical properties of Methyl 12-methoxyibogamine-18-carboxylate (CAS: 510-22-5)?

Methyl 12-methoxyibogamine-18-carboxylate is a crystalline compound with a molecular weight of approximately 420.42 g/mol. It is slightly soluble in water but more soluble in organic solvents like methanol and ethanol. Chemically, it is mildly reactive and can undergo ester hydrolysis under basic conditions.

How is Methyl 12-methoxyibogamine-18-carboxylate (CAS: 510-22-5) typically synthesized?

Methyl 12-methoxyibogamine-18-carboxylate is typically synthesized via a multistep process involving condensation reactions and esterification. The key steps include the protection of a hydroxyl group, followed by the formation of an ester bond. Common catalysts include Lewis acids, and the overall yield is around 70-80%.

What industries use Methyl 12-methoxyibogamine-18-carboxylate (CAS: 510-22-5)?

Methyl 12-methoxyibogamine-18-carboxylate is primarily used in the pharmaceutical industry for its potential therapeutic applications. It may also be utilized in research and development for its structural complexity and bioactivity.

What precautions should be taken when handling Methyl 12-methoxyibogamine-18-carboxylate (CAS: 510-22-5)?

When handling Methyl 12-methoxyibogamine-18-carboxylate, appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. It should be stored in a cool, dry place away from direct sunlight and flammable materials. In case of spills, inform the safety officer and follow the Material Safety Data Sheet (MSDS) guidelines for disposal.