Chemistry:Lurosetron

Lurosetron
Clinical data
ATC code	none;
Identifiers
	IUPAC name 6-fluoro-5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one;
CAS Number	128486-54-4 ; 143486-90-2 (mesylate);
PubChem CID	172999;
ChemSpider	151068 ;
UNII	G694G740ZP;
KEGG	D04821 ;
Chemical and physical data
Formula	C17H17FN4O
Molar mass	312.348 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES CC1=C(N=CN1)CN2CCC3=C(C2=O)C4=C(N3C)C(=CC=C4)F;
	InChI InChI=1S/C17H17FN4O/c1-10-13(20-9-19-10)8-22-7-6-14-15(17(22)23)11-4-3-5-12(18)16(11)21(14)2/h3-5,9H,6-8H2,1-2H3,(H,19,20) ; Key:NUMKWGDDRWJQMY-UHFFFAOYSA-N ;
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Short description: Chemical compound

Lurosetron (INN) is a serotonin 5-HT₃ receptor antagonist.^[1]

Synthesis

Lurosetron synthesis^[2]

↑ "Synthesis of isotopically labelled pyridoindolone 5-HT3 receptor antagonists.". Journal of Labelled Compounds and Radiopharmaceuticals 36 (10): 993–1007. 1995. doi:10.1002/jlcr.2580361011.
↑ Coates, Ian Harold; Alexander William Oxford & Peter Charles North et al., EP patent 0353983, published 1990-02-07

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Clinical data

ATC code	none
Identifiers
IUPAC name 6-fluoro-5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one
CAS Number	128486-54-4^N 143486-90-2 (mesylate)
PubChem CID	172999
ChemSpider	151068^N
UNII	G694G740ZP
KEGG	D04821^Y
Chemical and physical data
Formula	C₁₇H₁₇FN₄O
Molar mass	312.348 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES CC1=C(N=CN1)CN2CCC3=C(C2=O)C4=C(N3C)C(=CC=C4)F
InChI InChI=1S/C17H17FN4O/c1-10-13(20-9-19-10)8-22-7-6-14-15(17(22)23)11-4-3-5-12(18)16(11)21(14)2/h3-5,9H,6-8H2,1-2H3,(H,19,20)^N Key:NUMKWGDDRWJQMY-UHFFFAOYSA-N^N
^NY (what is this?) (verify)