1,4-Benzodioxin-5-carboxylic acid, 2,3-dihydro-8-(2-(hydroxymethyl)-3-(4-(1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl)-1-piperazinyl)propoxy)-, 3-methylbutyl ester, monohydrochloride

Base Information

• Chemical Name: 1,4-Benzodioxin-5-carboxylic acid, 2,3-dihydro-8-(2-(hydroxymethyl)-3-(4-(1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl)-1-piperazinyl)propoxy)-, 3-methylbutyl ester, monohydrochloride
• CAS No.: 86580-12-3
• Molecular Formula: C34H47ClN2O10
• Molecular Weight: 679.1974
• Mol file: 86580-12-3.mol

Synonyms:86580-12-3;1,4-Benzodioxin-5-carboxylic acid, 2,3-dihydro-8-(2-(hydroxymethyl)-3-(4-(1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl)-1-piperazinyl)propoxy)-, 3-methylbutyl ester, monohydrochloride;C34H46N2O10.ClH;C34-H46-N2-O10.Cl-H;LS-34385

Chemical Property of 1,4-Benzodioxin-5-carboxylic acid, 2,3-dihydro-8-(2-(hydroxymethyl)-3-(4-(1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl)-1-piperazinyl)propoxy)-, 3-methylbutyl ester, monohydrochloride

Chemical Property:

• Vapor Pressure: 3.22E-28mmHg at 25°C
• Boiling Point: 816.8°Cat760mmHg
• Flash Point: 447.8°C
• PSA: 125.46000
• Density: g/cm³
• LogP: 4.20920
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 16
• Exact Mass: 678.2919234
• Heavy Atom Count: 47
• Complexity: 944

Purity/Quality:

1,4-BENZODIOXIN-5-CARBOXYLIC ACID, 2,3-DIHYDRO-8-(2-(HYDROXYMETHYL)-3-(4-(1-OXO-3-(3,4,5-TRIMETHOXYPHENYL)-2-PROPENYL)-1-PIPERAZINYL)PROPOXY)-, 3-METHYLBUTYL ESTER, MONOHYDROCHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCOC(=O)C1=C2C(=C(C=C1)OCC(CN3CCN(CC3)C(=O)C=CC4=CC(=C(C(=C4)OC)OC)OC)CO)OCCO2.Cl
• Isomeric SMILES: CC(C)CCOC(=O)C1=C2C(=C(C=C1)OCC(CN3CCN(CC3)C(=O)/C=C/C4=CC(=C(C(=C4)OC)OC)OC)CO)OCCO2.Cl