Chemical Properties of 6H-Dibenzo[a,g]quinolizine-2,9-diol, 5,8,13,13a-tetrahydro-3,10-dimethoxy-, (.+/-.)- (CAS 6451-72-5)

InChI

InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3

InChI Key

KNWVMRVOBAFFMH-UHFFFAOYSA-N

Formula

C19H21NO4

SMILES

COc1cc2c(cc1O)C1Cc3ccc(OC)c(O)c3CN1CC2

Molecular Weight¹

327.37

CAS

6451-72-5

Other Names

• Berbine-2,9-diol, 3,10-dimethoxy-, (.+/-.)-
• (.+/-.)-Scoulerine
• (RS)-Scoulerine
• 6H-Dibenzo[a,g]quinolizine-2,9-diol, 5,8,13,13a-tetrahydro-3,10-dimethoxy-, (±)-
• (±)-Scoulerine
• Berbine-2,9-diol, 3,10-dimethoxy-, (±)-
• dl-Scoulerine

• 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

Property	Value	Unit	Source
log10WS	-3.73		Crippen Calculated Property
logPoct/wat	2.770		Crippen Calculated Property
McVol	242.790	ml/mol	McGowan Calculated Property
Inp	[3190.30; 3190.30]
Inp	3190.30		NIST
Inp	3190.30		NIST

Similar Compounds

Find more compounds similar to 6H-Dibenzo[a,g]quinolizine-2,9-diol, 5,8,13,13a-tetrahydro-3,10-dimethoxy-, (.+/-.)-.

Sources

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

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