(8beta)-6-Allyl-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)ergoline-8-carboxamide

Basic Information

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CAS Number

81409-90-7

Molecular Formula

C26H37N5O2

Molecular Weight

451.62 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

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

102-104°C

Solubility

DMSO: ≥10mg/mL

SMILES

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CCNC(=O)N(CCCN(C)C)C(=O)C1CC2C(CC3=CNC4=CC=CC2=C34)N(C1)CC=C

InChI

InChI=1S/C26H37N5O2/c1-5-11-30-17-19(25(32)31(26(33)27-6-2)13-8-12-29(3)4)14-21-20-9-7-10-22-24(20)18(16-28-22)15-23(21)30/h5,7,9-10,16,19,21,23,28H,1,6,8,11-15,17H2,2-4H3,(H,27,33)/t19-,21-,23-/m1/s1

InChIKey

KORNTPPJEAJQIU-KJXAQDMKSA-N

LogP

3.193900000000002

Topological Polar Surface Area

71.67999999999999 Å²

Hydrogen Bond Donor/Acceptor

2 / 7

Complexity

713

Safety Information

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Toxicity

Sol in ethyl alcohol, chloroform, DMF; slightly sol in 0.1 N HCl; very slightly sol in n-hexane. Insol in water. LD50 orally in male mice: >400 mg/kg (Brambilla)

Synonyms & References

English

Sogilen
(8beta)-N-(3-(dimethylamino)propyl)-N-((ethylamino)carbonyl)-6-(2-propenyl)-ergoline-8-carboxamide
(6aR,9R,10aR)-7-allyl-N-(3-(dimethylamino)propyl)-N-(ethylcarbamoyl)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide
CHEBI:3286
Cabergolinum [Latin]
1-[(6-Allylergoline-8beta-yl)carbonyl]-1-[3-(dimethylamino)-propyl]-3-ethylurea
GTPL37
CABERGOLINE [ORANGE BOOK]
HMS3886H05
DTXSID6022719
Cabergoline, United States Pharmacopeia (USP) Reference Standard
HMS2090A09
(8beta)-N-(3-(dimethylamino)propyl)-N-(ethylcarbamoyl)-6-(prop-2-en-1-yl)ergoline-8-carboxamide
(8beta)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-6-(prop-2-en-1-yl)ergoline-8-carboxamide
(9R,10aR)-7-allyl-N-(3-(dimethylamino)propyl)-N-(ethylcarbamoyl)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide
CABERGOLINE [INN]
CABERGOLINE [JAN]
Velactis
UNII-LL60K9J05T
SR-05000001493-2
(8beta)-N-[3-(dimethylamino)propyl]-N-[(ethylamino)carbonyl]-6-prop-2-en-1-ylergoline-8-carboxamide
CABERGOLINE [USP MONOGRAPH]
CABERGOLINE [MI]
FCE-21336FCE-21336
Dostinex
1-[(6-allylergoline-8beta-yl)carbonyl]-1-[3-(dimethylamino)propyl]-3-ethylurea
BIDD:GT0775
CABERGOLINE [USP-RS]
SR-05000001493-1
Cabaser (TN)
Cabergoline, European Pharmacopoeia (EP) Reference Standard

MDL Number

MFCD00867887

FAQ

What is (8beta)-6-Allyl-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)ergoline-8-carboxamide (CAS: 81409-90-7)?

This compound is a synthetic ergoline derivative characterized by an allyl group at position 6, a dimethylamino-propyl substituent, and an ethylcarbamoyl group. It is a complex organic molecule with potential applications in pharmaceutical research, particularly in targeting dopamine receptors. Its chemical structure includes multiple functional groups, making it relevant for drug development and biochemical studies.

What are the main uses of (8beta)-6-Allyl-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)ergoline-8-carboxamide (CAS: 81409-90-7)?

Primarily used in pharmaceutical research for its potential as a dopamine receptor agonist, this compound may be explored in treating neurological disorders like Parkinson's disease. It also serves as a structural analog in drug development and biochemical studies, contributing to the understanding of ergoline-based therapeutics and receptor interactions.

Is (8beta)-6-Allyl-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)ergoline-8-carboxamide (CAS: 81409-90-7) safe?

Safety data for this compound is limited, but standard chemical handling precautions apply. It may require protective measures such as gloves, goggles, and proper ventilation to minimize exposure risks. Always follow safety guidelines for handling pharmaceutical intermediates to ensure workplace and environmental safety.

How should (8beta)-6-Allyl-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)ergoline-8-carboxamide (CAS: 81409-90-7) be stored?

Store in a cool, dry place away from light and moisture. Use airtight containers to maintain stability and prevent degradation. Keep in a well-ventilated area to avoid humidity-related risks, ensuring optimal shelf life and safety compliance for chemical storage.

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Compound Q&A

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(8beta)-6-Allyl-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)ergoline-8-carboxamide | CAS No. 81409-90-7

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Melting Point

Solubility

Chemical Properties

SMILES

InChI

InChIKey

LogP

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Complexity

Safety Information

Toxicity

Synonyms & References

English

MDL Number

FAQ

What is (8beta)-6-Allyl-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)ergoline-8-carboxamide (CAS: 81409-90-7)?

What are the main uses of (8beta)-6-Allyl-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)ergoline-8-carboxamide (CAS: 81409-90-7)?

Is (8beta)-6-Allyl-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)ergoline-8-carboxamide (CAS: 81409-90-7) safe?

How should (8beta)-6-Allyl-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)ergoline-8-carboxamide (CAS: 81409-90-7) be stored?

Related Compounds

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