(8beta)-8-[(Methylsulfanyl)methyl]-6-propylergoline

Basic Information

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CAS Number

66104-22-1

Molecular Formula

C19H26N2S

Molecular Weight

314.5 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

207.5 ºC

SMILES

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CCCN1CC(CC2C1CC3=CNC4=CC=CC2=C34)CSC

InChI

InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1

InChIKey

YEHCICAEULNIGD-MZMPZRCHSA-N

LogP

4.271100000000003

Topological Polar Surface Area

19.03 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

388

Safety Information

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Hazard Statement

H300 Fatal if swallowed
Acute toxicity, oral

H351 Suspected of causing cancer
Carcinogenicity

H361 Suspected of damaging fertility or the unborn child
Reproductive toxicity

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

BDBM50028421
Pergolidum (INN-Latin)
NCGC00017366-10
BRD-K60770992-066-15-1
CHEBI:63617
9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinoline, mesylate (Pergolide)
(6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinoline
PERGOLIDE [INN]
Pergolidum [INN-Latin]
Prestwick3_000295
UNII-24MJ822NZ9
NCGC00017366-04
KBio2_007263
SR-01000721840-8
SCHEMBL26921
pergolide
IDI1_000442
(8beta)-8-((methylsulfanyl)methyl)-6-propylergoline
SDCCGSBI-0050957.P004
HMS2089C18
GTPL48
BSPBio_000230
NCGC00142538-02
Pergolide [INN:BAN]
EN300-6482031
[2-(1H-Indol-4-yl)-ethyl]-methyl-amine
BCP18331
DTXCID203438
HY-13720
AB00053740_14
BIDD:GT0177

MDL Number

MFCD00867357

FAQ

What is (8beta)-8-[(Methylsulfanyl)methyl]-6-propylergoline (CAS: 66104-22-1)?

(8beta)-8-[(Methylsulfanyl)methyl]-6-propylergoline is a chemical compound with a unique structure, characterized by a 6-propylergoline core with a substituted methylsulfanyl group. This compound is used primarily in pharmaceutical research for its bioactive properties.

What are the main uses of (8beta)-8-[(Methylsulfanyl)methyl]-6-propylergoline (CAS: 66104-22-1)?

The main uses of (8beta)-8-[(Methylsulfanyl)methyl]-6-propylergoline include pharmaceutical research, particularly in the development of ergot alkaloid derivatives with potential therapeutic applications. It is also used in synthetic chemistry for the preparation of other ergot-related compounds.

Is (8beta)-8-[(Methylsulfanyl)methyl]-6-propylergoline (CAS: 66104-22-1) safe?

While (8beta)-8-[(Methylsulfanyl)methyl]-6-propylergoline can be safe under controlled conditions, it is important to follow recommended safety guidelines. It should be handled in a well-ventilated area and with appropriate personal protective equipment (PPE).

How should (8beta)-8-[(Methylsulfanyl)methyl]-6-propylergoline (CAS: 66104-22-1) be stored?

(8beta)-8-[(Methylsulfanyl)methyl]-6-propylergoline should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent degradation and contamination. Storage conditions should be maintained at temperatures below 25°C to ensure optimal stability and safety.