Chemical Properties of Furethidine (CAS 2385-81-1)

InChI

InChI=1S/C21H31NO4/c1-2-25-20(23)21(18-7-4-3-5-8-18)10-12-22(13-11-21)14-16-24-17-19-9-6-15-26-19/h3-5,7-8,19H,2,6,9-17H2,1H3

InChI Key

NNCOZXNZFLUYGG-UHFFFAOYSA-N

Formula

C21H31NO4

SMILES

CCOC(=O)C1(c2ccccc2)CCN(CCOCC2CCCO2)CC1

Molecular Weight¹

361.48

CAS

2385-81-1

Other Names

• 4-Piperidinecarboxylic acid, 4-phenyl-1-[2-[(tetrahydro-2-furanyl)methoxy]ethyl]-, ethyl ester
• Isonipecotic acid, 4-phenyl-1-[2-[(tetrahydrofurfuryl)oxy]ethyl]-, ethyl ester
• Ethyl 4-phenyl-1-[2-[(tetrahydrofurfuryl)oxy]ethyl]isonipecotate
• Ethyl 4-phenyl-1-(2-tetrahydrofurfuryloxyethyl)piperidine-4-carboxylate
• 1-(2-Tetrahydrofurfuryloxyethyl)-4-phenylpiperidine-4-carboxylic acid ethyl ester

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Similar Compounds

Find more compounds similar to Furethidine.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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