Systematic Name: 11-Chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl 3-methylbutanoate
Synonyms of Ansamitocin P-4 (CAS NO.66547-10-2): 3-De(2-(acetylmethylamino)propionyloxy)-3-hydroxymaytansine isovalerate (ester) ; Maytansinol isovalerate ; Maytansine, 3-de(2-(acetylmethylamino)propionyloxy)-3-hydroxy-, isovalerate (ester)
CAS NO: 66547-10-2
Molecular Formula: C33H45ClN2O9
Molecular Weight : 649.1714
Molecular Structure:
H bond acceptors: 11
H bond donors: 2
Freely Rotating Bonds: 7
Polar Surface Area: 116.37 Å2
Index of Refraction: 1.58
Molar Refractivity: 168.06 cm3
Molar Volume: 504.8 cm3
Surface Tension: 54.4 dyne/cm
Density: 1.28 g/cm3
Flash Point: 461 °C
Enthalpy of Vaporization: 127.74 kJ/mol
Boiling Point: 838.7 °C at 760 mmHg
Vapour Pressure: 7.44E-30 mmHg at 25°C
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LDLo | intraperitoneal | 625ug/kg (0.625mg/kg) | Japanese Kokai Tokyo Koho Patents. Vol. #78-130495, |
Poison by intraperitoneal route. Mutation data reported. When Ansamitocin P-4 (CAS NO.66547-10-2) is heated to decomposition, it emits toxic fumes of Cl− and NOx. See also ESTERS.
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