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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=C(O)C=C2CC[N+]3=C(C=C4C=CC(OS(O)(=O)=O)=C(OC)C4=C3)C2=C1

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

Approval Year

Unknown
139594
Name Type Language
3,10-DEMETHYLPALMATINE-10-O-SULFATE
Common Name English
BERBERINE METABOLITE HM6
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 Sat Dec 16 16:14:28 GMT 2023 , Edited by admin on Sat Dec 16 16:14:28 GMT 2023
PRIMARY
FDA UNII
VG8PXK6SVI
Created by admin on Sat Dec 16 16:14:28 GMT 2023 , Edited by admin on Sat Dec 16 16:14:28 GMT 2023
PRIMARY
PUBCHEM
154572897
Created by admin on Sat Dec 16 16:14:28 GMT 2023 , Edited by admin on Sat Dec 16 16:14:28 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of BERBERINE
NIH
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