Chlorzoxazone
CAS Number: 95-25-0
Molecular Mass: 169.56 g/mol
Formula: C7H4ClNO2
Smiles: O=c1[nH]c2cc(Cl)ccc2o1
Synonymes:
Chlorzoxazone, chlorzoxazone, 95-25-0, Paraflex, 5-Chloro-2(3H)-benzoxazolone, 5-Chloro-2-benzoxazolone, 2(3H)-Benzoxazolone, 5-chloro-, 5-Chloro-2-benzoxazolinone, 5-Chloro-2-hydroxybenzoxazole, 5-Chloro-2-benzoxazolol, Parafon Forte DSC, 5-Chlorobenzoxazolidone, 5-chloro-3H-1,3-benzoxazol-2-one, Chlorzoxane, Parafon, Strifon Forte Dsc, 2-Hydroxy-5-chlorobenzoxazole, Chlorzoxazonum, Clorzoxazona, Strifon, 5-chlorobenzoxazolin-2-one, DTXSID9022813, 5-chloro-2,3-dihydro-1,3-benzoxazol-2-one, H0DE420U8G, CHEBI:3655, DTXCID302813, NSC26189, chlorozoxazone, Clorzoxazone, Parafon-Forte, Parafon Dsc, RefChem:5678, M03BB03, 202-403-9, Chloroxazone, Chlorzoxazon, Biomioran, Myoflexine, Escoflex, Miotran, Neoflex, Solaxin, Mioran, Myoflexin, Pathorysin, 5-Chlorobenzo[d]oxazol-2(3H)-one, Usaf ma-10, 5-Chloro-1,3-benzoxazol-2(3H)-one, 5-Chlorobenzoxazol-2-one, 5-Chlorobenzoxazolone, 5-Chlorbenzoxazolin-2-on, 5-Chloro-3(H)-2-benzoxazolone, 5-Chlorobenzoksazolon-2, 5-Chlorobenzoksazolinon-2, MFCD00005717, NSC 26189, 2-BENZOXAZOLINONE, 5-CHLORO-, 5-chlorobenzo[d]oxazol-2-ol, 5-chloro-3H-benzooxazol-2-one, 5-chloro-1,3-benzoxazol-2-ol, CHEMBL1371, MLS000069380, Chlorsoxazone, Klorzoxazon, Nyoflex, Remofleks, Parafon Forte, NSC-26189, s4155, CAS-95-25-0, NCGC00015238-02, SMR000058269, CLW, Chlorzoxazonum [INN-Latin], Clorzoxazona [INN-Spanish], chlorzoxazona, 5-chloro-3-hydrobenzoxazol-2-one, Lorzone, 5-Chlorobenzoksazolon-2 [Polish], 5-Chlorobenzoksazolinon-2 [Polish], Paraflex (TN), SR-01000075207, EINECS 202-403-9, component of Parafon Forte, UNII-H0DE420U8G, AI3-63119, Chlorzoxazone (JAN/USP/INN), Prestwick_62, Chlorzoxazone [USP:INN:BAN:JAN], 5-Chlorobenzoxazolinone, Spectrum_000148, Chlorzoxazone (Standard), 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, SCHEMBL35178, BSPBio_000025, BSPBio_002019, CHLORZOXAZONE [VANDF], KBioGR_000814, KBioSS_000628, WLN: T56 BMVOJ HG, CHLORZOXAZONE [MART.], DivK1c_000895, SPECTRUM1500188, SPBio_001077, SPBio_001946, CHLORZOXAZONE [USP-RS], CHLORZOXAZONE [WHO-DD], BPBio1_000029, GTPL2322, orb1307897, orb3025783, SCHEMBL4269294, SCHEMBL5534934, SCHEMBL29720120, HMS502M17, HY-B1462R, KBio1_000895, KBio2_000628, KBio2_003196, KBio2_005764, KBio3_001239, NINDS_000895, HMS1568B07, HMS1920O07, HMS2091E14, HMS2095B07, HMS2235I19, HMS3259I15, HMS3260D08, HMS3373P17, HMS3652K22, HMS3712B07, HMS3885N07, HMS5082A22, Pharmakon1600-01500188, CHLORZOXAZONE [ORANGE BOOK], ALBB-012641, HY-B1462, MSK10528, STR00805, CHLORZOXAZONE [USP IMPURITY], Tox21_110105, Tox21_500253, BDBM50290811, CCG-40323, CHLORZOXAZONE [USP MONOGRAPH], EBC-12579, EBC-44296, NSC756693, SBB003864, STK071582, AKOS000404381, Tox21_110105_1, component of Parafon Forte (Salt/Mix), CS-5155, DB00356, FC20416, HG-0202, LP00253, NC00499, NSC-756693, SDCCGSBI-0050241.P005, 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, ST45024437, SW196377-3, EN300-31026, C07931, D00771, D78096, AB00051947_05, AB00051947_06, F358326, Q3294630, SR-01000075207-1, SR-01000075207-3, SR-01000075207-5, BRD-K98174813-001-05-7, BRD-K98174813-001-08-1, BRD-K98174813-001-17-2, BRD-K98174813-001-18-0, 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
Bioactivity: -
Solubility in Different Solvents
| Solvent | Temperature [K] | Crystal form | Solubility [mg/mL] | Reference |
|---|---|---|---|---|
| Ethyl acetate | 278.15 | - | 35.15 | [445] |
| Ethyl acetate | 283.15 | - | 41.01 | [445] |
| Ethyl acetate | 293.15 | - | 51.98 | [445] |
| Ethyl acetate | 303.15 | - | 63.66 | [445] |
| Ethyl acetate | 313.15 | - | 76.11 | [445] |
| Ethyl acetate | 323.15 | - | 89.55 | [445] |
| Isopropanol | 278.15 | - | 33.94 | [445] |
| Isopropanol | 283.15 | - | 40.85 | [445] |
| Isopropanol | 293.15 | - | 54.06 | [445] |
| Isopropanol | 303.15 | - | 69.01 | [445] |
| Isopropanol | 313.15 | - | 84.77 | [445] |
| Isopropanol | 323.15 | - | 103.1 | [445] |
| Isopropanol | 333.15 | - | 122.7 | [445] |
| Toluene | 283.15 | - | 1.679 | [445] |
| Toluene | 293.15 | - | 2.4 | [445] |
| Toluene | 303.15 | - | 3.258 | [445] |
| Toluene | 313.15 | - | 4.053 | [445] |
| Toluene | 323.15 | - | 4.831 | [445] |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 157.1927 |
| PMI2 | 961.8604 |
| PMI3 | 1119.0532 |
| NPR1 | 0.1405 |
| NPR2 | 0.8595 |
| RadiusOfGyration | 2.5689 |
| InertialShapeFactor | 0.0055 |
| Eccentricity | 0.9901 |
| Asphericity | 0.6378 |
| SpherocityIndex | 0.0000 |
| PBF | 0.0000 |