MDL-105519

Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H11Cl2NO4
Molecular Weight	376.19
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)C(=C\C1=C(NC2=CC(Cl)=CC(Cl)=C12)C(O)=O)\C3=CC=CC=C3

InChI

InChIKey=LPWVUDLZUVBQGP-DHZHZOJOSA-N

InChI=1S/C18H11Cl2NO4/c19-10-6-13(20)15-12(16(18(24)25)21-14(15)7-10)8-11(17(22)23)9-4-2-1-3-5-9/h1-8,21H,(H,22,23)(H,24,25)/b11-8+

HIDE SMILES / InChI

Molecular Formula	C18H11Cl2NO4
Molecular Weight	376.19
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:42:28 UTC 2023` Edited by `admin` on `Sat Dec 16 15:42:28 UTC 2023`
Record UNII	PP86UX2L28
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MDL-105519

Code

English

(E)-4,6-Dichloro-3-(2-phenyl-2-carboxyethenyl)Indole-2-carboxylic acid

Systematic Name

English

3-[(1E)-2-Carboxy-2-phenylethenyl]-4,6-dichloro-1H-indole-2-carboxylic acid

Systematic Name

English

1H-Indole-2-carboxylic acid, 3-[(1E)-2-carboxy-2-phenylethenyl]-4,6-dichloro-

Systematic Name

English

4,6-BIS(CHLORANYL)-3-(3-OXIDANYL-3-OXIDANYLIDENE-2-PHENYL-PROP-1-ENYL)-1H-INDOLE-2-CARBOXYLIC ACID

Systematic Name

English

MDL105,519

Code

English

3-((1E)-2-Carboxy-2-phenylethenyl)-4,6-dichloro-1H-indole-2-carboxylic acid

Systematic Name

English

MDL105519

Code

English

MDL-105,519

Common Name

English

Code System Code Type Description

PUBCHEM

6603913

Created by admin on Sat Dec 16 15:42:28 UTC 2023 , Edited by admin on Sat Dec 16 15:42:28 UTC 2023

PRIMARY

EPA CompTox

DTXSID101017669

Created by admin on Sat Dec 16 15:42:28 UTC 2023 , Edited by admin on Sat Dec 16 15:42:28 UTC 2023

PRIMARY

CAS

161230-88-2

Created by admin on Sat Dec 16 15:42:28 UTC 2023 , Edited by admin on Sat Dec 16 15:42:28 UTC 2023

PRIMARY

FDA UNII

PP86UX2L28

Created by admin on Sat Dec 16 15:42:28 UTC 2023 , Edited by admin on Sat Dec 16 15:42:28 UTC 2023

PRIMARY

Related Record Type Details


					1U19X17PZY

GLYCINE RECEPTOR SUBUNIT ALPHA-3

TARGET->LIGAND

Qualification:

Kd

Amount: