Product Name: Auromomycin (CAS NO.70213-45-5)
Molecular Formula: C12H11NO5
Molecular Weight: 249.2194g/mol
Mol File: 70213-45-5.mol
Boiling point: 480 °C at 760 mmHg
Flash Point: 244.1 °C
Density: 1.35 g/cm3
Surface Tension: 51.7 dyne/cm
Enthalpy of Vaporization: 74.44 kJ/mol
Vapour Pressure: 2.25E-09 mmHg at 25°C
XLogP3-AA: 1.3
H-Bond Donor: 1
H-Bond Acceptor: 5
Structure Descriptors of Auromomycin (CAS NO.70213-45-5):
IUPAC Name: methyl 7-methoxy-2-methylidene-3-oxo-4H-1,4-benzoxazine-5-carboxylate
Canonical SMILES: COC1=CC2=C(C(=C1)C(=O)OC)NC(=O)C(=C)O2
InChI: InChI=1S/C12H11NO5/c1-6-11(14)13-10-8(12(15)17-3)4-7(16-2)5-9(10)18-6/h4-5H,1H2,2-3H3,(H,13,14)
InChIKey: HXKWEZFTHHFQMB-UHFFFAOYSA-N
1. | dnd-omi 100 mg/L | CNREA8 Cancer Research. 39 (1979),2787. | ||
2. | dnd-hmn:lym 500 µg/L | CNREA8 Cancer Research. 44 (1984),3202. | ||
3. | dnd-mus:lym 60 ng/L/10 M | CNREA8 Cancer Research. 39 (1979),2787. | ||
4. | oms-mus:lym 60 µg/L | CNREA8 Cancer Research. 39 (1979),2787. | ||
5. | ivn-mus LD50:3 mg/kg | JANTAJ Journal of Antibiotics. 32 (1979),330. |
Poison by intravenous route. Human mutation data reported.When heated to decomposition it emits acrid smoke and irritating fumes.
Auromomycin ,its CAS NO. is 70213-45-5,the synonyms is Macromomycin B ; Macromomycin I .
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