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Details

Stereochemistry ACHIRAL
Molecular Formula C19H17NO7S
Molecular Weight 403.406
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DEMETHYLENEBERBERINE-2-O-SULFATE

SMILES

COC1=C(OC)C2=C[N+]3=C(C=C2C=C1)C4=CC(OS([O-])(=O)=O)=C(O)C=C4CC3

InChI

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

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
DEMETHYLENEBERBERINE-2-O-SULFATE
Common Name English
DIBENZO(A,G)QUINOLIZINIUM, 5,6-DIHYDRO-3-HYDROXY-9,10-DIMETHOXY-2-(SULFOOXY)-
Systematic Name English
5,6-DIHYDRO-3-HYDROXY-9,10-DIMETHOXY-2-(SULFOOXY)DIBENZO(A,G)QUINOLIZINIUM
Systematic Name English
BERBERINE METABOLITE HM1
Common Name English
Code System Code Type Description
PUBCHEM
154572849
Created by admin on Sat Dec 16 16:18:24 GMT 2023 , Edited by admin on Sat Dec 16 16:18:24 GMT 2023
PRIMARY
CAS
1334431-49-0
Created by admin on Sat Dec 16 16:18:24 GMT 2023 , Edited by admin on Sat Dec 16 16:18:24 GMT 2023
PRIMARY
FDA UNII
M06BFD3MK4
Created by admin on Sat Dec 16 16:18:24 GMT 2023 , Edited by admin on Sat Dec 16 16:18:24 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of BERBERINE
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