DICL_CP_0309246 - DICL Database

Basic Molecular Information

Basic Information

DICL ID

DICL_CP_0309246

PubChem CID

2733

Molecular Formula

C₇H₄ClNO₂

Molecular Weight

169.567 g/mol

Synonyms/Alias

[chlorzoxazone; 95-25-0; Paraflex; 5-Chloro-2-benzoxazolone; Chloroxazone; Chlorzoxazon; 5-Chloro-2(3H)-benzoxazolone; 5-Chloro-2-benzoxazoli; Biomioran; Myoflexin; Myoflexine; Pathorysin; Escoflex; M...[chlorzoxazone; 95-25-0; Paraflex; 5-Chloro-2-benzoxazolone; Chloroxazone; Chlorzoxazon; 5-Chloro-2(3H)-benzoxazolone; 5-Chloro-2-benzoxazoli; Biomioran; Myoflexin; Myoflexine; Pathorysin; Escoflex; Miotran; Neoflex; Solaxin; Mioran; 5-Chloro-2-hydroxybenzoxazole; 5-Chlorobenzoxazolidone; 2(3H)-Benzoxazolone; 5-chloro-; Chlorzoxane; 5-Chlorobenzo[d]oxazol-2(3H)-one; 5-Chloro-2-benzoxazolol; Parafon Forte DSC; Strifon Forte Dsc; Usaf ma-10; 5-Chlorobenzoxazol-2-one; 5-Chlorobenzoxazolone; 5-Chloro-1;3-benzoxazol-2(3H)-one; 2-Hydroxy-5-chlorobenzoxazole; Chlorsoxazone; Chlorzoxazonum; Klorzoxazon; Nyoflex; Parafon; Remofleks; 5-chloro-3H-1;3-benzoxazol-2-one; 5-Chlorbenzoxazolin-2-on; Clorzoxazona; 5-Chloro-3(H)-2-benzoxazolone; 5-Chlorobenzoksazolon-2; 5-Chlorobenzoksazolinon-2; chlorzoxazona; Lorzone; Strifon; 5-chlorobenzoxazolin-2-one; 5-chlorobenzo[d]oxazol-2-ol; Chlorzoxazonum [INN-Latin]; Clorzoxazona [INN-Spanish]; NSC 26189; 2-BENZOXAZOLI; 5-CHLORO-; 5-chloro-3H-benzooxazol-2-one; 5-chloro-1;3-benzoxazol-2-ol; EINECS 202-403-9; UNII-H0DE420U8G; CHEBI:3655; H0DE420U8G; DTXSID9022813; AI3-63119; MFCD00005717; CHEMBL1371; MLS000069380; DTXCID302813; 5-chloro-2;3-dihydro-1;3-benzoxazol-2-one; Parafon Forte; Chlorzoxazone [USP:INN:BAN:JAN]; NSC26189; NSC-26189; CAS-95-25-0; NCGC00015238-02; SMR000058269; Chlorzoxazonum (INN-Latin); Clorzoxazona (INN-Spanish); CLW; CHLORZOXAZONE (MART.); CHLORZOXAZONE [MART.]; CHLORZOXAZONE (USP-RS); CHLORZOXAZONE [USP-RS]; Chlorzoxazone (USP:INN:BAN:JAN); CHLORZOXAZONE (USP IMPURITY); CHLORZOXAZONE [USP IMPURITY]; CHLORZOXAZONE (USP MONOGRAPH); CHLORZOXAZONE [USP MONOGRAPH]; 5-Chlorobenzoksazolon-2 [Polish]; 5-Chlorobenzoksazolinon-2 [Polish]; Paraflex (TN); SR-01000075207; component of Parafon Forte; chlorozoxazone; Clorzoxazone; Chlorzoxazone (JAN/USP/INN); Parafon Dsc; Prestwick_62; Chlorzoxazone;(S); 5-Chlorobenzoxazoli; Spectrum_000148; Opera_ID_1659; Prestwick0_000163; Prestwick1_000163; Prestwick2_000163; Prestwick3_000163; Spectrum2_001149; Spectrum3_000350; Spectrum4_000287; Spectrum5_000745; Lopac-C-4397; CHLORZOXAZONE [MI]; C 4397; CHLORZOXAZONE [INN]; CHLORZOXAZONE [JAN]; 5-Chloro-benzooxazol-2-ol; 5-chloro-2-benzoxazolinoone; 5-chloro-benzoxazolin-2-one; Lopac0_000253; SCHEMBL35177; BSPBio_000025; BSPBio_002019; CHLORZOXAZONE [VANDF]; KBioGR_000814; KBioSS_000628; WLN: T56 BMVOJ HG; DivK1c_000895; SPECTRUM1500188; SPBio_001077; SPBio_001946; CHLORZOXAZONE [WHO-DD]; BPBio1_000029; GTPL2322; HMS502M17; KBio1_000895; KBio2_000628; KBio2_003196; KBio2_005764; KBio3_001239; M03BB03; NINDS_000895; HMS1568B07; HMS1920O07; HMS2091E14; HMS2095B07; HMS2235I19; HMS3259I15; HMS3260D08; HMS3373P17; HMS3652K22; HMS3712B07; HMS3885N07; Pharmakon1600-01500188; CHLORZOXAZONE [ORANGE BOOK]; BCP07916; HY-B1462; STR00805; Tox21_110105; Tox21_500253; BDBM50290811; CCG-40323; NSC756693; s4155; STK071582; AKOS000404381; Tox21_110105_1; component of Parafon Forte (Salt/Mix); CS-5155; DB00356; HG-0202; LP00253; NC00499; NSC-756693; SDCCGSBI-0050241.P005; 5-chloranyl-3H-1;3-benzoxazol-2-one; 5-chloro-1;3-benzoxazole-2(3H)-one; IDI1_000895; Chlorzoxazone 1.0 mg/ml in Acetonitrile; NCGC00015238-01; NCGC00015238-03; NCGC00015238-04; NCGC00015238-05; NCGC00015238-06; NCGC00015238-07; NCGC00015238-08; NCGC00015238-09; NCGC00015238-10; NCGC00015238-13; NCGC00015238-24; NCGC00093714-01; NCGC00093714-02; NCGC00093714-03; NCGC00093714-04; NCGC00260938-01; 5-Chloro-1;3-benzoxazol-2(3H)-one #; AC-12192; BP-11613; SBI-0050241.P004; DB-057571; AB00051947; C2237; EU-0100253; NS00001077; SW196377-3; EN300-31026; C07931; D00771; D78096; AB00051947_05; AB00051947_06; A845253; Q3294630; SR-01000075207-1; SR-01000075207-3; SR-01000075207-5; W-100168; BRD-K98174813-001-05-7; BRD-K98174813-001-08-1; Z57183224; Chlorzoxazone; United States Pharmacopeia (USP) Reference Standard; InChI=1/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H;(H;9;10]

InChI Key

TZFWDZFKRBELIQ-UHFFFAOYSA-N

InChI

InChI=1S/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)

IUPAC Name

5-chloro-3H-1,3-benzoxazol-2-one

CAS Number

95-25-0

Structure Information

Chemical Structure Visualization

SMILES Notation

2D Molecular Drawing

Carbon (C)

Hydrogen (H)

Oxygen (O)

Nitrogen (N)

Sulfur (S)

SDF

15 16 0 0 0 0 0 0 0 0999 V2000
-1.9541 0.7426 0.0274 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7891 1.5328 -0.0182 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4357 0.872...

Download SDF File (1335 bytes)

Experimental Data

Activity Data

Target Ion Channel

Calcium-activated potassium channel subunit alpha-1

Uniprot Accession Number

Q12791

Function

Agonist

Species

Homo sapiens (Human)

IC₅₀

N/A (Not available)

EC₅₀

EC₅₀: 30000 nM

K_i

N/A (Not available)

K_d

N/A (Not available)

Inhibition

N/A (Not available)

Experimental Conditions

pH 7.4

Holding Potential

50 mV mV

Temperature

20−25 °C

Test Method

Patch-clamping

Test Species

GH3 cell

Binding Information

Binding Site

Not specified

Binding Site Residue

Not specified

Disease Information

Related Disease

Not specified

References

DOI

10.1016/s0006-8993(02)03730-7

URL

N/A (Not available)

PMID

12480161

Patent

N/A (Not available)

Computed Properties

Heavy Atom Count

Rotatable Bonds

logP

1.7745

Complexity

41.8447

TPSA (Å²)

H-Bond Donors

H-Bond Acceptors

Ring Count

New Search

Molecular Details

Basic Molecular Information

Basic Information

Structure Information

Chemical Structure Visualization

Experimental Data

Activity Data

Experimental Conditions

Binding Information

Disease Information

References

Computed Properties