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Details

Stereochemistry ACHIRAL
Molecular Formula C19H18NO7S
Molecular Weight 404.414
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of 3,10-DEMETHYLPALMATINE-10-O-SULFATE

SMILES

COC1=CC2=C(CC[N+]3=CC4=C(C=CC(OS(O)(=O)=O)=C4OC)C=C23)C=C1O

InChI

InChIKey=LTBVFXBDKOPTHA-UHFFFAOYSA-O
InChI=1S/C19H17NO7S/c1-25-18-9-13-12(8-16(18)21)5-6-20-10-14-11(7-15(13)20)3-4-17(19(14)26-2)27-28(22,23)24/h3-4,7-10H,5-6H2,1-2H3,(H,22,23,24)/p+1

HIDE SMILES / InChI

Molecular Formula C19H18NO7S
Molecular Weight 404.414
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 07:33:14 GMT 2025
Edited
by admin
on Wed Apr 02 07:33:14 GMT 2025
Record UNII
VG8PXK6SVI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BERBERINE METABOLITE HM6
Preferred Name English
3,10-DEMETHYLPALMATINE-10-O-SULFATE
Common Name English
5,6-DIHYDRO-3-HYDROXY-2,9-DIMETHOXY-10-(SULFOOXY)DIBENZO(A,G)QUINOLIZINIUM
Systematic Name English
DIBENZO(A,G)QUINOLIZINIUM, 5,6-DIHYDRO-3-HYDROXY-2,9-DIMETHOXY-10-(SULFOOXY)-
Systematic Name English
Code System Code Type Description
CAS
1334431-50-3
Created by admin on Wed Apr 02 07:33:14 GMT 2025 , Edited by admin on Wed Apr 02 07:33:14 GMT 2025
PRIMARY
FDA UNII
VG8PXK6SVI
Created by admin on Wed Apr 02 07:33:14 GMT 2025 , Edited by admin on Wed Apr 02 07:33:14 GMT 2025
PRIMARY
PUBCHEM
154572897
Created by admin on Wed Apr 02 07:33:14 GMT 2025 , Edited by admin on Wed Apr 02 07:33:14 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
URINE