Novobiocin sodium

Category	Orthopoxvirus
CAS	1476-53-5
Description	Novobiocin Sodium is a very potent bacterial DNA gyrase and human organic anion transporter with Kis of 14.87±0.40 μM for hOAT1, 4.77±1.12 μM for hOAT3 and 90.50±7.50 μM for hOAT4.

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Product Information

Synonyms	Novobiocin sodium salt;Albamycin;Cathomycin;1476-53-5;Novobiocin (Sodium);1021496-62-7;Albamycinsodium;CHEMBL2079809;WWPRGAYLRGSOSU-UHFFFAOYSA-M;HMS3374H11;HMS3656A08;AKOS037645151;AS-57689;PD055312;EN300-123645;Sodium 4-((7-((4-(carbamoyloxy)-3-hydroxy-5-methoxy-6,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-8-methyl-2-oxo-2H-chromen-3-yl)carbamoyl)-2-(3-methylbut-2-en-1-yl)phenolate;sodium 4-[(7-{[4-(carbamoyloxy)-3-hydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy}-4-hydroxy-8-methyl-2-oxo-2H-chromen-3-yl)carbamoyl]-2-(3-methylbut-2-en-1-yl)benzen-1-olate;SODIUM 4-[(7-{[4-(CARBAMOYLOXY)-3-HYDROXY-5-METHOXY-6,6-DIMETHYLOXAN-2-YL]OXY}-4-HYDROXY-8-METHYL-2-OXOCHROMEN-3-YL)CARBAMOYL]-2-(3-METHYLBUT-2-EN-1-YL)BENZENOLATE;sodium;4-[[7-(4-carbamoyloxy-3-hydroxy-5-methoxy-6,6-dimethyloxan-2-yl)oxy-4-hydroxy-8-methyl-2-oxochromen-3-yl]carbamoyl]-2-(3-methylbut-2-enyl)phenolate;
IUPAC Name	sodium;4-[[7-(4-carbamoyloxy-3-hydroxy-5-methoxy-6,6-dimethyloxan-2-yl)oxy-4-hydroxy-8-methyl-2-oxochromen-3-yl]carbamoyl]-2-(3-methylbut-2-enyl)phenolate
Molecular Weight	634.61
Molecular Formula	C31H35N2NaO11
Canonical SMILES	CC1=C(OC2=O)C(C(O)=C2NC(C3=CC(C/C=C(C)/C)=C(O[Na])C=C3)=O)=CC=C1O[C@H](OC(C)(C)[C@H](OC)[C@H]4OC(N)=O)[C@@H]4O
InChI	InChI=1S/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;/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37);/q;+1/p-1
InChIKey	WWPRGAYLRGSOSU-UHFFFAOYSA-M
Melting Point	215-220 °C
Purity	>98%
Solubility	Soluble in Water
Appearance	Solid
Storage	4°C, sealed storage, away from moisture *In solvent : -80°C, 1 year; -20°C, 6 months (sealed storage, away from moisture)