Common molecules sample 50956

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Empirical formula:	C₆H₅N₃O₁S₁
a:	7.837 Å
b:	3.880 Å
c:	11.518 Å
α (alpha):	90.00 °
β (beta):	97.09 °
γ (gamma):	90.00 °
Volume:	347.56 Å³
Space group:	P21
Calculated density:	1.598 g/cm³
Z:	2
Temperature:	22.0 °C
Formula weight:	167.191 g/mole
R(F):	0.0361
Structural formula:	C₆H₅N₃O₁S₁
CSD refcode:	VIXRID
Common name:	Neamphine
Short description:	Neamphine is a cytotoxic metabolite of the marine sponge.
Keyword:	sponge
Keyword:	aromatic
Keyword:	cytotoxic metabolite
IUPAC name:	5-Methylimidazo(4,5-e)-1,2-thiazon-4-one
Layman's explanation:	Neamphine is a flat, sulfur containing, aromatic heterocycle compound that has been isolated from Neamphius huxleyi, a marine sponge. This molecule is the first compound identified to have the imidazo[4,5-e]-1,2-thiazine ring system. This cytotoxic metabolite of the marine sponge has a biogenetic resemblance to ovothiol A, a metabolite found in the eggs of marine asteroid.
Citation of a publication:	E.D.de Silva, J.S.Racock, R.J.Andersen ; Tetrahedron Lett., 32, (1991), 2707
Lab name:	Common molecules
Sample provider:	Obtained courtesy of the Cambridge Structural Database
Status:	Complete, visible to public

Repository Files:
50956.cif	50956.crt	50956.GIF	50956.pdb	50956.sdt