THC Science

Almoxatone
Clinical data
ATC code	none;
Legal status
Legal status	In general: uncontrolled;
Identifiers
	IUPAC name (5R)-3-{4-[(3-chlorobenzyl)oxy]phenyl}-5-[(methylamino)methyl]-1,3-oxazolidin-2-one;
CAS Number	84145-89-1 ;
PubChem CID	172287;
ChemSpider	150582 ;
UNII	85V47MCE4Z;
ChEMBL	ChEMBL2104006 ;
CompTox Dashboard (EPA)	DTXSID00233078 ;
Chemical and physical data
Formula	C18H19ClN2O3
Molar mass	346.81 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES Clc1cccc(c1)COc3ccc(N2C(=O)O[C@H](CNC)C2)cc3;
	InChI InChI=1S/C18H19ClN2O3/c1-20-10-17-11-21(18(22)24-17)15-5-7-16(8-6-15)23-12-13-3-2-4-14(19)9-13/h2-9,17,20H,10-12H2,1H3/t17-/m1/s1 ; Key:KYXSTSXVEXKFJI-QGZVFWFLSA-N ;
	(what is this?) (verify)

Almoxatone (MD-780,236) is a selective and reversible inhibitor of MAO-B.^[1]^[2] It was patented as an antidepressant and antiparkinsonian agent but was never marketed.^[3]

References[edit]

^ Tipton KF, Fowler CJ, McCrodden JM, Strolin Benedetti M (January 1983). "The enzyme-activated irreversible inhibition of type-B monoamine oxidase by 3-(4-[(3-chlorophenyl)methoxy]phenyl)-5-[(methylamino) methyl]-2-oxazolidinone methanesulphonate (compound MD 780236) and the enzyme-catalysed oxidation of this compound as competing reactions". The Biochemical Journal. 209 (1): 235–42. doi:10.1042/bj2090235. PMC 1154077. PMID 6847610.
^ Dostert P, Strolin Benedetti M, Guffroy C (March 1983). "Different stereoselective inhibition of monoamine oxidase-B by the R- and S-enantiomers of MD 780236". The Journal of Pharmacy and Pharmacology. 35 (3): 161–5. doi:10.1111/j.2042-7158.1983.tb04297.x. PMID 6132973. S2CID 10074323.
^ David J. Triggle (1996). Dictionary of Pharmacological Agents. Boca Raton: Chapman & Hall/CRC. ISBN 0-412-46630-9.

Clinical data

ATC code	none
Legal status
Legal status	In general: uncontrolled
Identifiers
IUPAC name (5R)-3-{4-[(3-chlorobenzyl)oxy]phenyl}-5-[(methylamino)methyl]-1,3-oxazolidin-2-one
CAS Number	84145-89-1^N
PubChem CID	172287
ChemSpider	150582^Y
UNII	85V47MCE4Z
ChEMBL	ChEMBL2104006^N
CompTox Dashboard (EPA)	DTXSID00233078
Chemical and physical data
Formula	C₁₈H₁₉ClN₂O₃
Molar mass	346.81 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES Clc1cccc(c1)COc3ccc(N2C(=O)O[C@H](CNC)C2)cc3
InChI InChI=1S/C18H19ClN2O3/c1-20-10-17-11-21(18(22)24-17)15-5-7-16(8-6-15)23-12-13-3-2-4-14(19)9-13/h2-9,17,20H,10-12H2,1H3/t17-/m1/s1^Y Key:KYXSTSXVEXKFJI-QGZVFWFLSA-N^Y
^NY (what is this?) (verify)