PD-164800

Details

Stereochemistry	ACHIRAL
Molecular Formula	C26H21NO10S2
Molecular Weight	571.576
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC=C2C(SC3=CC=C4OCOC4=C3)=C(N(CC5=CC=C6OCOC6=C5)S(=O)(=O)C2=C1OC)C(O)=O

InChI

InChIKey=LJSZLDSAIPIPHD-UHFFFAOYSA-N

InChI=1S/C26H21NO10S2/c1-32-19-8-5-16-24(38-15-4-7-18-21(10-15)37-13-35-18)22(26(28)29)27(39(30,31)25(16)23(19)33-2)11-14-3-6-17-20(9-14)36-12-34-17/h3-10H,11-13H2,1-2H3,(H,28,29)

HIDE SMILES / InChI

Molecular Formula	C26H21NO10S2
Molecular Weight	571.576
Charge	0
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 `Mon Mar 31 22:45:24 GMT 2025` Edited by `admin` on `Mon Mar 31 22:45:24 GMT 2025`
Record UNII	3E9T80FR85
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PD-164800

Common Name

English

2H-1,2-BENZOTHIAZINE-3-CARBOXYLIC ACID, 2-(1,3-BENZODIOXOL-5-YLMETHYL)-4-(1,3-BENZODIOXOL-5-YLTHIO)-7,8-DIMETHOXY-, 1,1-DIOXIDE

Preferred Name

English

Code System Code Type Description

CAS

215648-26-3

Created by admin on Mon Mar 31 22:45:24 GMT 2025 , Edited by admin on Mon Mar 31 22:45:24 GMT 2025

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PUBCHEM

9916074

Created by admin on Mon Mar 31 22:45:24 GMT 2025 , Edited by admin on Mon Mar 31 22:45:24 GMT 2025

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FDA UNII

3E9T80FR85

Created by admin on Mon Mar 31 22:45:24 GMT 2025 , Edited by admin on Mon Mar 31 22:45:24 GMT 2025

PRIMARY

Related Record Type Details


					3E9T80FR85

PD-164800

ACTIVE MOIETY