Ergoline-8-carboxylic acid methyl ester

CAS

30341-92-5

Catalog Number

ACM30341925

Category

Other Products

Molecular Weight

270.33

Molecular Formula

C₁₆H₁₈N₂O₂

MSDS COA Spec Sheet

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Specification

Synonyms

ERGOLINE-8-CARBOXYLIC ACID METHYL ESTER;6-nor-9,10-dihydrolysergic acid methyl ester

What is the PubChem CID of Ergoline-8-carboxylic acid methyl ester?

The PubChem CID of Ergoline-8-carboxylic acid methyl ester is 56991928.

What is the molecular formula of Ergoline-8-carboxylic acid methyl ester?

The molecular formula of Ergoline-8-carboxylic acid methyl ester is C16H18N2O2.

What are the synonyms of Ergoline-8-carboxylic acid methyl ester?

The synonyms of Ergoline-8-carboxylic acid methyl ester are Ergoline-8-carboxylic acid methyl ester, 30341-92-5, and SCHEMBL1892720.

What is the molecular weight of Ergoline-8-carboxylic acid methyl ester?

The molecular weight of Ergoline-8-carboxylic acid methyl ester is 270.33 g/mol.

What is the IUPAC name of Ergoline-8-carboxylic acid methyl ester?

The IUPAC name of Ergoline-8-carboxylic acid methyl ester is methyl (6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxylate.

What is the InChI of Ergoline-8-carboxylic acid methyl ester?

The InChI of Ergoline-8-carboxylic acid methyl ester is InChI=1S/C16H18N2O2/c1-20-16(19)10-5-12-11-3-2-4-13-15(11)9(7-17-13)6-14(12)18-8-10/h2-4,7,10,12,14,17-18H,5-6,8H2,1H3/t10?,12-,14-/m1/s1.

What is the InChIKey of Ergoline-8-carboxylic acid methyl ester?

The InChIKey of Ergoline-8-carboxylic acid methyl ester is ORIBUSCBDFDAIQ-HCGVIMEBSA-N.

What is the canonical SMILES of Ergoline-8-carboxylic acid methyl ester?

The canonical SMILES of Ergoline-8-carboxylic acid methyl ester is COC(=O)C1CC2C(CC3=CNC4=CC=CC2=C34)NC1.

What are the computed properties of Ergoline-8-carboxylic acid methyl ester?

The computed properties of Ergoline-8-carboxylic acid methyl ester include molecular weight, XLogP3-AA, hydrogen bond donor count, hydrogen bond acceptor count, rotatable bond count, exact mass, monoisotopic mass, topological polar surface area, heavy atom count, formal charge, complexity, isotope atom count, defined atom stereocenter count, undefined atom stereocenter count, defined bond stereocenter count, undefined bond stereocenter count, covalently-bonded unit count, and whether the compound is canonicalized.

Is Ergoline-8-carboxylic acid methyl ester a canonicalized compound?

Yes, Ergoline-8-carboxylic acid methyl ester is a canonicalized compound.

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