methyl 6-formyl-4,7,9-trihydroxyphenazine-1-carboxylate

• ChemBase ID: 105163
• Molecular Formular: C15H10N2O6
• Molecular Mass: 314.2497
• Monoisotopic Mass: 314.05388605
• SMILES: COC(=O)c1ccc(O)c2nc3c(C=O)c(O)cc(O)c3nc12
• Canonical SMILES: COC(=O)c1ccc(c2c1nc1c(O)cc(c(c1n2)C=O)O)O
• InChI: InChI=1S/C15H10N2O6/c1-23-15(22)6-2-3-8(19)13-11(6)16-14-10(21)4-9(20)7(5-18)12(14)17-13/h2-5,19-21H,1H3
• InChIKey: CRANETCJDDEINO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 6-formyl-4,7,9-trihydroxyphenazine-1-carboxylate
• IUPAC Traditional name: lomofungin
• Synonyms: U-24792; LOMOFUNGIN

Database IDs

• CAS Number: 26786-84-5
• PubChem SID: 162092315
• PubChem CID: 5351222

CALCULATED PROPERTIES

• Acid pKa: 5.6891556
• H Acceptors: 7
• H Donor: 3
• LogD (pH = 5.5): 2.4632266
• LogD (pH = 7.4): 1.4590349
• Log P: 2.5155392
• Molar Refractivity: 77.708595 cm^3
• Polarizability: 31.74168 Å^3
• Polar Surface Area: 129.84 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: 2-8°C
• RTECS: SG1576500

Product Information

• Purity: 98%

DETAILS

MP Biomedicals - 02158949

Purity: 98%
Broad spectrum antibiotic. Also, inhibits RNA synthesis.

REFERENCES

• Kopecka, M. and Farkas, V., J. Gen. Microbiol. , 110 : 453, (1979).