NOVOBIOCIN SODIUM

Novobiocin An antibiotic compound derived from Streptomyces niveus. It has a chemical structure similar to coumarin. Novobiocin binds to DNA gyrase, and blocks adenosine triphosphatase (ATPase) activity. (From Reynolds, Martindale The Extra Pharmacopoeia, 30th ed, p189)

Molecular Formula: C₃₁H₃₅N₂NaO₁₁

InChI: InChI=1/C31H36N2O11.Na/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29;/h7,9-13,23,25-26,29,34,36,38H,8H2,1-6H3,(H2,32,39)(H,33,37);/q;+1/p-1/t23-,25+,26-,29-;/m1./s1/fC31H35N2O11.Na/h38h,33H,32H2;/q-1;m

InChIKey: InChIKey=BCVYMKNSUUMMRG-DUKVXVGNDB
SMILES: CC1=C(C=CC2=C1OC(=C(C2=O)NC(=O)C3=CC(=C(C=C3)O)CC=C(C)C)[O-])OC4C(C(C(C(O4)(C)C)OC)OC(=O)N)O.[Na+]

Names:
    C12609
    NOVOBIOCIN SODIUM
    sodium 7-[(2S,3R,4S,5R)-4-carbamoyloxy-3-hydroxy-5-methoxy-6,6-dimethyl-oxan-2-yl]oxy-3-[[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]amino]-8-methyl-4-oxo-chromen-2-olate
    1476-53-5

Registries:
    PubChem CID 443892
    PubChem ID 582999