Systematic Name: [29-(2,3-Dihydroxy-2-methylpropyl)-2-hydroxy-6-methyl-26-(1-methylethyl)-4,7,19,22,25,28,31-heptaoxo-1,2,3,3a,4,5,6,7,8,9,10,15,18,19-tetradecahydro-17H-18,9-(epiminoethanoiminoethanoiminoethanoiminom ethano)pyrrolo[1',2':5,6][1,5,8,11]thiatriazacyclopentadecino[15,14-b]indol-23-yl](hydroxy)acetic acid
Synonyms of Cyclic(L-Alanyl-2-mercapto-L-tryptophyl-4,5-dihydroxy-L-leucyl-L-valyl-erythro-3-hydroxy-D-alpha-aspartyl-L-cysteinyl-cis-4-hydroxy-L-prolyl) cyclic (2-6)-sulfide (CAS NO.26645-35-2): Phallacidin
CAS NO: 26645-35-2
Molecular Formula: C37H50N8O13S
Molecular Weight : 846.9037
Molecular Structure:
H bond acceptors: 21
H bond donors: 12
Freely Rotating Bonds: 10
Polar Surface Area: 235.62 Å2
Index of Refraction: 1.687
Molar Refractivity: 208.59 cm3
Molar Volume: 547.4 cm3
Surface Tension: 91.2 dyne/cm
Density: 1.54 g/cm3
Flash Point: 821.8 °C
Enthalpy of Vaporization: 229.54 kJ/mol
Boiling Point: 1435.2 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 2mg/kg (2mg/kg) | CRC Critical Reviews in Biochemistry. Vol. 5, Pg. 185, 1978. | |
mouse | LD50 | unreported | 2500ug/kg (2.5mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 22, Pg. 2142, 1972. |
A poison by intraperitoneal route. When Cyclic(L-Alanyl-2-mercapto-L-tryptophyl-4,5-dihydroxy-L-leucyl-L-valyl-erythro-3-hydroxy-D-alpha-aspartyl-L-cysteinyl-cis-4-hydroxy-L-prolyl) cyclic (2-6)-sulfide (CAS NO.26645-35-2) is heated to decomposition, it emits toxic vapors of NOx and SOx.
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