IUPAC Name: (E)-3-(4,6-dihydroxy-3-methyl-11-oxo-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl)prop-2-enamide
Molecular Weight: 315.32388 g/mol
Molecular Formula: C16H17N3O4
Density: 1.5 g/cm3
Boiling Point: 679.9 °C at 760 mmHg
Flash Point: 365 °C
Index of Refraction: 1.722
Molar Refractivity: 82.95 cm3
Molar Volume: 209.4 cm3
Polarizability: 32.88*10-24cm3
Surface Tension: 85 dyne/cm
Enthalpy of Vaporization: 104.8 kJ/mol
Vapour Pressure: 2.05E-19 mmHg at 25°C
H-Bond Donor: 4
H-Bond Acceptor: 5
Rotatable Bond Count: 2
Tautomer Count: 14
Exact Mass: 315.121906
MonoIsotopic Mass: 315.121906
Topological Polar Surface Area: 116
Heavy Atom Count: 23
Complexity: 574
Canonical SMILES: CC1=C(C2=C(C=C1)C(=O)N3C=C(CC3C(N2)O)C=CC(=O)N)O
Isomeric SMILES: CC1=C(C2=C(C=C1)C(=O)N3C=C(CC3C(N2)O)/C=C/C(=O)N)O
InChI: InChI=1S/C16H17N3O4/c1-8-2-4-10-13(14(8)21)18-15(22)11-6-9(3-5-12(17)20)7-19(11)16(10)23/h2-5,7,11,15,18,21-22H,6H2,1H3,(H2,17,20)/b5-3+
InChIKey: VGQOVCHZGQWAOI-HWKANZROSA-N
Anthramycin (CAS NO.4803-27-4), an antitumour antibiotic produced by Streptomyces refuineus, belongs to the pyrrolo(1,4)benzodiazepine antibiotic group. Anthramycin (CAS NO.4803-27-4) within this group are potent inhibitors of nucleic acid synthesis because of their ability to form a labile covalent adduct with DNA.
1. | pic-esc 60 ng/plate | CNREA8 Cancer Research. 43 (1983),2819. | ||
2. | dnd-mam:lym 400 µmol/L | BBACAQ Biochimica et Biophysica Acta. 475 (1977),521. | ||
3. | mmo-eug 60 mg/L | NEOLA4 Neoplasma. 19 (1972),579. | ||
4. | dns-hmn:fbr 200 µmol/L | JBCHA3 Journal of Biological Chemistry. 254 (1979),605. | ||
5. | dnd-hmn:fbr 10 µmol/L | JBCHA3 Journal of Biological Chemistry. 254 (1979),605. | ||
6. | ipr-mus LD50:650 µg/kg | TOLED5 Toxicology Letters. 18 (1983),337. |
EPA Genetic Toxicology Program.
Deadly poison by intraperitoneal route. Human mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
Anthramycin (CAS NO.4803-27-4) is also called (11R,11aS,βE)-5,10,11,11a-Tetrahydro-9,11-dihydroxy-8-methyl-5-oxo-1H-pyrrolo[2,1-c][1,4]benzodiazepin-2-acrylamide ; (11R,11aS,βE)-5,10,11,11a-Tetrahydro-9,11-dihydroxy-8-methyl-5-oxo-1H-pyrrolo[2,1-c][1,4]benzodiazepine-2-acrylamide .Anthramycin (CAS NO.4803-27-4) is high toxic. It is flammable. It will produce toxic nitrogen oxide fumes when buring. So the storage environment should be ventilate, low-temperature and dry. Keep Anthramycin (CAS NO.4803-27-4) separate from raw materials of food.
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