CAS 18207-71-1 | Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium, 5,6-dihydro-10-hydroxy-9-methoxy- | CAS Number 18207-71-1

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18207-71-1 | Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium, 5,6-dihydro-10-hydroxy-9-methoxy-

CAS No: 18207-71-1 Catalog No: AG0023CM MDL No:

Product Description

Catalog Number:

AG0023CM

Chemical Name:

Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium, 5,6-dihydro-10-hydroxy-9-methoxy-

CAS Number:

18207-71-1

Molecular Formula:

C19H16NO4+

Molecular Weight:

322.3346

IUPAC Name:

16-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-17-ol

InChI:

InChI=1S/C19H15NO4/c1-22-19-14-9-20-5-4-12-7-17-18(24-10-23-17)8-13(12)15(20)6-11(14)2-3-16(19)21/h2-3,6-9H,4-5,10H2,1H3/p+1

InChI Key:

OEGWOBMNQDATKP-UHFFFAOYSA-O

SMILES:

COc1c(O)ccc2c1c[n+]1CCc3c(c1c2)cc1c(c3)OCO1

Properties

Complexity:

474

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

322.108g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

322.34g/mol

Monoisotopic Mass:

322.108g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

51.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3

Literature

Title	Journal
Bioactivities of berberine metabolites after transformation through CYP450 isoenzymes.	Journal of translational medicine 20110101
Pharmacokinetics of berberine and its main metabolites in conventional and pseudo germ-free rats determined by liquid chromatography/ion trap mass spectrometry.	Drug metabolism and disposition: the biological fate of chemicals 20061201
Identification of three sulfate-conjugated metabolites of berberine chloride in healthy volunteers' urine after oral administration.	Acta pharmacologica Sinica 20020101