DDB-S

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H21NO10.ClH
Molecular Weight	483.853
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.CNCCOC(=O)C1=C(C2=C(OCO2)C(OC)=C1)C3=C(C=C(OC)C4=C3OCO4)C(O)=O

InChI

InChIKey=KEMVQKXYOFPCCU-UHFFFAOYSA-N

InChI=1S/C21H21NO10.ClH/c1-22-4-5-28-21(25)11-7-13(27-3)17-19(32-9-30-17)15(11)14-10(20(23)24)6-12(26-2)16-18(14)31-8-29-16;/h6-7,22H,4-5,8-9H2,1-3H3,(H,23,24);1H

HIDE SMILES / InChI

Molecular Formula	C21H21NO10
Molecular Weight	447.3921
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	ClH
Molecular Weight	36.461
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 `Tue Apr 01 16:59:04 GMT 2025` Edited by `admin` on `Tue Apr 01 16:59:04 GMT 2025`
Record UNII	W78TF69GWA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LEBECEL

Preferred Name

English

DDB-S

Common Name

English

7-METHOXY-4-(7-METHOXY-5-(2-(METHYLAMINO)ETHOXYCARBONYL)-1,3-BENZODIOXOL-4-YL)-1,3-BENZODIOXOLE-5-CARBOXYLIC ACID HYDROCHLORIDE

Systematic Name

English

(4,4'-BI-1,3-BENZODIOXOLE)-5,5'-DICARBOXYLIC ACID, 7,7'-DIMETHOXY-, 5-(2-(METHYLAMINO)ETHYL) ESTER, HYDROCHLORIDE (1:1)

Systematic Name

English

Code System Code Type Description

PUBCHEM

10435420

Created by admin on Tue Apr 01 16:59:04 GMT 2025 , Edited by admin on Tue Apr 01 16:59:04 GMT 2025

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FDA UNII

W78TF69GWA

Created by admin on Tue Apr 01 16:59:04 GMT 2025 , Edited by admin on Tue Apr 01 16:59:04 GMT 2025

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CAS

213456-57-6

Created by admin on Tue Apr 01 16:59:04 GMT 2025 , Edited by admin on Tue Apr 01 16:59:04 GMT 2025

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