CAS 153504-72-4 Acea 1011 (HCID 127872)

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Basic information

CAS: 153504-72-4
Standard SMILES: O=c1[nH]c2cc(C(F)(F)F)cc(Cl)c2[nH]c1=O
InChIKey: JDCKMCIQUXTYQI-UHFFFAOYSA-N
Molecular formula: C9H4ClF3N2O2
Average molar mass: 264.59 g/mol
Monoisotopic mass: 263.99133971

Overview

a glycine site NMDA receptor antagonist; produces analgesia during the late phase of subcutaneous formalin injection in mice

Names & identifiers

Preferred name: Acea 1011
IUPAC: 5-chloro-7-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione
English name: ACEA 1011
Molecular formula: C9H4ClF3N2O2
Molecular weight: 264.59

Names & synonyms

153504-72-4Acea 1011Acea-1011DTXSID00165345RefChem:108738DTXCID80878365-Chloro-7-trifluoromethyl-1,4-dihydro-2,3-quinoxalinedione5-chloro-7-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dioneACEA10115-Chloro-1,4-dihydro-7-(trifluoromethyl)-2,3-quinoxalinedioneCHEMBL140296orb1703854

Show more names

SCHEMBL2639004SCHEMBL3032750SCHEMBL206367845-chloro-7-trifluoromethyl-1,4-dihydroquinoxaline-2,3-dione2,3-Quinoxalinedione, 5-chloro-1,4-dihydro-7-(trifluoromethyl)-AKOS040745458CS-0066478T23603

Database identifiers

CAS: 153504-72-4
PubChem CID: 127872
DTXSID: DTXSID00165345
ChEMBL: CHEMBL140296
Nikkaji: J569.694A

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 58.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 0
Heavy atoms: 17
Formal charge: 0
Complexity: 361

Chemistry & industry

Applications

DescriptionACEA1011 is a glycine site NMDA receptor antagonist. It may have analgesic effects and alleviate certain seizure-like excitatory responses.

UsesACEA1011 is an active compound.