THALIFENDINE 10-O-.BETA.-D-GLUCURONIDE

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

Structure Search

SMILES

COC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=CC3=C1C=[N+]4CCC5=C(C=C6OCOC6=C5)C4=C3

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

Molecular Formula	C25H24NO10
Molecular Weight	498.4588
Charge	1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 07:47:17 GMT 2025` Edited by `admin` on `Wed Apr 02 07:47:17 GMT 2025`
Record UNII	H37Z9DX3IU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

THALIFENDINE 10-O-.BETA.-D-GLUCURONIDE

Common Name

English

BERBERINE METABOLITE HM3

Preferred 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

Code System Code Type Description

CAS

1334431-46-7

Created by admin on Wed Apr 02 07:47:17 GMT 2025 , Edited by admin on Wed Apr 02 07:47:17 GMT 2025

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FDA UNII

H37Z9DX3IU

Created by admin on Wed Apr 02 07:47:17 GMT 2025 , Edited by admin on Wed Apr 02 07:47:17 GMT 2025

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PUBCHEM

154572903

Created by admin on Wed Apr 02 07:47:17 GMT 2025 , Edited by admin on Wed Apr 02 07:47:17 GMT 2025

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Related Record Type Details


					0I8Y3P32UF

BERBERINE

PARENT -> METABOLITE

Qualification:

URINE