U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C25H24NO10
Molecular Weight 498.4588
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of THALIFENDINE 10-O-.BETA.-D-GLUCURONIDE

SMILES

COC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=CC3=CC4=[N+](CCC5=CC6=C(OCO6)C=C45)C=C13

InChI

InChIKey=JTACAMOIQSBONP-MDYSUIJBSA-O
InChI=1S/C25H23NO10/c1-32-22-14-9-26-5-4-12-7-17-18(34-10-33-17)8-13(12)15(26)6-11(14)2-3-16(22)35-25-21(29)19(27)20(28)23(36-25)24(30)31/h2-3,6-9,19-21,23,25,27-29H,4-5,10H2,1H3/p+1/t19-,20-,21+,23-,25+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
THALIFENDINE 10-O-.BETA.-D-GLUCURONIDE
Common Name English
BENZO(G)-1,3-BENZODIOXOLO(5,6-A)QUINOLIZINIUM, 10-(.BETA.-D-GLUCOPYRANURONOSYLOXY)-5,6-DIHYDRO-9-METHOXY-
Systematic Name English
10-(.BETA.-D-GLUCOPYRANURONOSYLOXY)-5,6-DIHYDRO-9-METHOXYBENZO(G)-1,3-BENZODIOXOLO(5,6-A)QUINOLIZINIUM
Systematic Name English
BERBERINE METABOLITE HM3
Common Name English
Code System Code Type Description
CAS
1334431-46-7
Created by admin on Sat Dec 16 16:23:16 GMT 2023 , Edited by admin on Sat Dec 16 16:23:16 GMT 2023
PRIMARY
FDA UNII
H37Z9DX3IU
Created by admin on Sat Dec 16 16:23:16 GMT 2023 , Edited by admin on Sat Dec 16 16:23:16 GMT 2023
PRIMARY
PUBCHEM
154572903
Created by admin on Sat Dec 16 16:23:16 GMT 2023 , Edited by admin on Sat Dec 16 16:23:16 GMT 2023
PRIMARY