Chelirubine
[CAS# 18203-11-7]

Identification

• Name: Chelirubine
• Synonyms: Chebi:17031; Aids-340047; Aids340047
• Molecular Formula: C₂₁H₁₆NO₅
• Molecular Weight: 362.36
• CAS Registry Number: 18203-11-7
• SMILES: C4=[N+](C1=C(C=CC2=CC3=C(C=C12)OCO3)C5=C4C6=C(C=C5OC)OCO6)C
• InChI: 1S/C21H16NO5/c1-22-8-14-19(17(23-2)7-18-21(14)27-10-26-18)12-4-3-11-5-15-16(25-9-24-15)6-13(11)20(12)22/h3-8H,9-10H2,1-2H3/q+1
• InChIKey: RNSBFHHWMMKJAM-UHFFFAOYSA-N

References

• (1): Philip Prathipati, Ngai Ling Ma* and Thomas H. Keller. Global Bayesian Models for the Prioritization of Antitubercular Agents, J. Chem. Inf. Model., 2008, 48 (12), pp 2362–2370