(5aR,6S,8R,9S,10R,11S,11aS,12aS,13R)-9-ethyl-5-methyl-5a,6,8,9,10,11,11a,12-octahydro-5H-6,1011,12a-dimethanoindolo[3,2-b]quinolizine-8,13-diol

Basic Information

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CAS Number

4360-12-7

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

206 ºC

Boiling Point

464.47°C (rough estimate)

Refractive Index

1.6800 (estimate)

Specific Rotation

D18 +131° (c = 0.4 in chloroform); D20 +144° (c = 0.8 in chloroform)

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-/m0/s1

InChIKey

CJDRUOGAGYHKKD-BAXQIEGASA-N

LogP

1.5544999999999998

Topological Polar Surface Area

46.94 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

570

Safety Information

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Hazard Class

Class 6.1(b) Class 6.1(b)

Synonyms & References

English

NSC-15627
Ajmalan-17,21-diol
Ajmaline
A857897
NSC 15627
Cardiorythmine
Merabitol
UNII-1PON08459R
Rytmalin
(17R,21alpha)-Ajmalan-17,21-diol
(17r,21r)-ajmalan-17,21-diol
(+)-Ajmaline
Ajmaline [JAN]
Ajmalan-17,21-diol, (17R,21-alpha)-
Raugalline
Ajmalin
NSC 628054
AJMALINE [MI]
4360-12-7
AJMALINE [MART.]
AI3-62668
(15alpha,17R,21alpha)-Ajmalan-17,21-diol
Rhytmaton
Rauwolfin
AJMALINE [WHO-DD]
Gilurytmal
(17R,21-alpha)-Ajmalan-17,21-diol
Tachmalin
1PON08459R
EINECS 224-439-4
Ritmos

MDL Number

MFCD00135652

FAQ

What are the physical and chemical properties of (5aR,6S,8R,9S,10R,11S,11aS,12aS,13R)-9-ethyl-5-methyl-5a,6,8,9,10,11,11a,12-octahydro-5H-6,1011,12a-dimethanoindolo[3,2-b]quinolizine-8,13-diol (CAS: 4360-12-7)?

This compound is a crystalline solid with a molecular weight of approximately 438.5 g/mol. It has a low solubility in water but is more soluble in polar organic solvents like methanol and ethanol. The compound is known for its reactivity, particularly in hydrogenation and derivatization reactions. It is stable under normal conditions but should be stored in a desiccated environment to prevent moisture absorption.

How is (5aR,6S,8R,9S,10R,11S,11aS,12aS,13R)-9-ethyl-5-methyl-5a,6,8,9,10,11,11a,12-octahydro-5H-6,1011,12a-dimethanoindolo[3,2-b]quinolizine-8,13-diol (CAS: 4360-12-7) typically synthesized?

This compound can be synthesized via a multi-step process involving ring-closing metathesis and selective hydrogenation. Common catalysts include Grubbs' second-generation catalyst. The overall yield is moderate, around 50-70%, and the process requires precise control of reaction conditions to achieve high selectivity and purity.

What industries use (5aR,6S,8R,9S,10R,11S,11aS,12aS,13R)-9-ethyl-5-methyl-5a,6,8,9,10,11,11a,12-octahydro-5H-6,1011,12a-dimethanoindolo[3,2-b]quinolizine-8,13-diol (CAS: 4360-12-7)?

This compound is primarily used in the pharmaceutical industry for the development of novel drugs. Its unique structure makes it suitable for applications in polymer science and electronic materials. It also shows potential in the sensing technology sector due to its specific chemical properties.

What precautions should be taken when handling (5aR,6S,8R,9S,10R,11S,11aS,12aS,13R)-9-ethyl-5-methyl-5a,6,8,9,10,11,11a,12-octahydro-5H-6,1011,12a-dimethanoindolo[3,2-b]quinolizine-8,13-diol (CAS: 4360-12-7)?

When handling this compound, wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood to minimize exposure. Spills should be immediately neutralized with an appropriate solvent and cleaned up using absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.