Molecular Identity
Chlorzoxazone
5-chloro-3H-1,3-benzoxazol-2-one
PubChem CID: 2733
Chlorzoxazone is a member of the class of 1,3-benzoxazoles that is 1,3-benzoxazol-2-ol in which the hydrogen atom at position 5 is substituted by chlorine. A centrally acting muscle relaxant with sedative properties, it is used for the symptomatic treatment of painful muscle spasm. It has a role as a sedative and a muscle relaxant. It is an organochlorine compound, a member of 1,3-benzoxazoles and a heteroaryl hydroxy compound.
2D Structure
Properties
C7H4ClNO2
Molecular Formula
169.56
Molecular Weight
g/mol
168.9931
Exact Mass
Da
1.8
XLogP
Drug-like (Lipinski: < 5)
38.3
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
2
H-Bond Acceptors
185
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC2=C(C=C1Cl)NC(=O)O2Isomeric SMILES
SMILES: C1=CC2=C(C=C1Cl)NC(=O)O2Synonyms(20)
chlorzoxazone95-25-0Paraflex5-Chloro-2(3H)-benzoxazolone5-Chloro-2-benzoxazolone2(3H)-Benzoxazolone, 5-chloro-5-Chloro-2-benzoxazolinone5-Chlorobenzoxazolidone5-chloro-3H-1,3-benzoxazol-2-one5-Chloro-2-hydroxybenzoxazole5-Chloro-2-benzoxazololParafon Forte DSCChlorzoxaneParafonStrifon Forte Dsc
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Chlorzoxazone
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