(3beta,17R,21alpha)-Ajmalan-17,21-diol

Basic Information

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CAS Number

6989-79-3

Molecular Formula

C20H26N2O2

Molecular Weight

326.44 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Physical State

Powder

Melting Point

265-266 ºC

Boiling Point

519.4°C at 760 mmHg

Density

1.37±0.1 g/cm3 (20 ºC 760 Torr),

Flash Point

285.2°C

Refractive Index

1.701

SMILES

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CCC1C2CC3C4C5(CC(C2C5O)N3C1O)C6=CC=CC=C6N4C

InChI

InChI=1S/C20H26N2O2/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3/t10-,11+,14+,15+,16+,17+,18-,19+,20-/m1/s1

InChIKey

CJDRUOGAGYHKKD-MMIPIFCTSA-N

LogP

1.5545

Topological Polar Surface Area

46.940000000000005 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

570

Synonyms & References

English

(1R,9R,10S,12S,13R,14S,16S,18R)-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol
(+)-Isoajmaline
ISOAJMALINE
6989-79-3
(1R,9R,10S,12S,13R,14S,16S)-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol
Isoajmaline
(17R,20alpha,21beta)-Ajmalan-17,21-diol
NSC 72132
Rauwolfinine
(1S,9S,10R,12S,13R,14R,16R,18S)-13-Ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17

FAQ

What regulatory guidelines apply to (3beta,17R,21alpha)-Ajmalan-17,21-diol (CAS: 6989-79-3)?

The (3beta,17R,21alpha)-Ajmalan-17,21-diol (CAS: 6989-79-3) is subject to various regulatory guidelines, including GHS classification for hazardous chemicals. It may also be regulated under REACH in the European Union, which requires registration if the substance is manufactured or imported in quantities exceeding 1 tonne per year. The FDA and EPA may regulate it depending on its intended use and potential environmental impact.

Are there alternatives to (3beta,17R,21alpha)-Ajmalan-17,21-diol in synthesis?

There are several alternatives to (3beta,17R,21alpha)-Ajmalan-17,21-diol in synthesis, including analogs such as (3beta,17R,21S)-Ajmalan-17,21-diol and isomers. Common alternative reagents include other diols or cyclic ethers that can serve similar functional roles in different chemical reactions. These alternatives can offer similar functionalities with varying physical and chemical properties, depending on the specific application.

What is the market or research trend for (3beta,17R,21alpha)-Ajmalan-17,21-diol?

The market for (3beta,17R,21alpha)-Ajmalan-17,21-diol is primarily driven by its potential applications in pharmaceuticals and natural products research. Recent trends indicate increasing research interest in its use as a starting material for drug development. The market value is influenced by factors such as emerging research fields and price trends in related chemical intermediates. However, more detailed market analysis would provide a comprehensive outlook.

How should waste containing (3beta,17R,21alpha)-Ajmalan-17,21-diol be handled?

Waste containing (3beta,17R,21alpha)-Ajmalan-17,21-diol should be handled according to local regulations and safety guidelines. Waste liquid collection and disposal should be done in a manner that minimizes environmental impact. Incineration or professional waste disposal services may be necessary for large quantities. Environmental protection precautions, such as proper containment and neutralization, should be taken before disposal to ensure compliance with environmental regulations.