KML-010

KML-010
Identifiers
	IUPAC name 8-[4-(4-fluorophenyl)-4-oxobutyl]-1-methyl-1,3,8-triazaspiro[4.5]decan-4-one;
CAS Number	217635-62-6 ;
PubChem CID	10404584;
ChemSpider	8580022 ;
UNII	V68MR69LDZ;
CompTox Dashboard (EPA)	DTXSID001028491 ;
Chemical and physical data
Formula	C18H24FN3O2
Molar mass	333.407 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES O=C1NCN(C)C1(CC2)CCN2CCCC(=O)c(cc3)ccc3F;
	InChI InChI=1S/C18H24FN3O2/c1-21-13-20-17(24)18(21)8-11-22(12-9-18)10-2-3-16(23)14-4-6-15(19)7-5-14/h4-7H,2-3,8-13H2,1H3,(H,20,24); Key:GRADLHIYNHRBCW-UHFFFAOYSA-N;
	(verify)

KML-010 is a drug derived from spiperone. It functions as a highly selective 5-HT_2A receptor antagonist, with negligible affinity for the 5-HT_1A or 5-HT_2C receptors, and over 400-fold lower affinity for the D₂ receptor in comparison to spiperone.^[1]

References

^ Glennon RA, Metwally K, Dukat M, Ismaiel AM, De los Angeles J, Herndon J, Teitler M, Khorana N (June 2002). "Ketanserin and spiperone as templates for novel serotonin 5-HT(2A) antagonists". Current Topics in Medicinal Chemistry. 2 (6): 539–58. doi:10.2174/1568026023393787. PMID 12052193.

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Identifiers

IUPAC name 8-[4-(4-fluorophenyl)-4-oxobutyl]-1-methyl-1,3,8-triazaspiro[4.5]decan-4-one
CAS Number	217635-62-6^Y
PubChem CID	10404584
ChemSpider	8580022^Y
UNII	V68MR69LDZ
CompTox Dashboard (EPA)	DTXSID001028491
Chemical and physical data
Formula	C₁₈H₂₄FN₃O₂
Molar mass	333.407 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES O=C1NCN(C)C1(CC2)CCN2CCCC(=O)c(cc3)ccc3F
InChI InChI=1S/C18H24FN3O2/c1-21-13-20-17(24)18(21)8-11-22(12-9-18)10-2-3-16(23)14-4-6-15(19)7-5-14/h4-7H,2-3,8-13H2,1H3,(H,20,24) Key:GRADLHIYNHRBCW-UHFFFAOYSA-N
(verify)