chempirical

Sodium fusidate

C31H47NaO6CAS 751-94-0538.70 g/mol

Open in Covalent MOL file
O−OOOOHHONa+
AlcoholAlkeneCarboxylic acidEster

Properties

Molecular formula
C31H47NaO6
Molar mass
538.70 g/mol
Exact mass
538.3270 Da
logP
5.29Crippen estimate
Polar surface area
104.1 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
5
Stereocentres
S, S, R, R, S, S, R, S, S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
751-94-0
SMILES
CC(C)=CCCC(C([O-])=O)=C1[C@@H](OC(C)=O)C[C@@]2(C)[C@H]1C[C@@H](O)[C@H]1[C@@]3(C)CC[C@@H](O)[C@@H](C)[C@@H]3CC[C@]21C.[Na+]
InChIKey
ZUMDNSFJFSGPGY-JCJNLNMISA-N
InChI
InChI=1S/C31H48O6.Na/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32;/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36);/b26-20-;/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-;/m0./s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

13 names · show all
  • 29-Nordammara-17(20),24-dien-21-oic acid, 16-(acetyloxy)-3,11-dihydroxy-, sodium salt (1:1), (3α,4α,8α,9β,11α,13α,14β,16β,17Z)-
  • 29-Nor-8α,9β,13α,14β-dammara-17(20),24-dien-21-oic acid, 3α,11α,16β-trihydroxy-, 16-acetate, monosodium salt, (Z)-
  • 29-Nordammara-17(20),24-dien-21-oic acid, 16-(acetyloxy)-3,11-dihydroxy-, monosodium salt, (3α,4α,8α,9β,11α,13α,14β,16β,17Z)-
  • SQ 16360
  • Fucidine
  • Fusidate sodium
  • Fucidin
  • Fusidin
  • Sodium fusidin
  • Fusidic acid sodium salt
  • Fucidina
  • ZN 6-Na
  • Sodium fucidate

Work with Sodium fusidate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Fusidic acid6990-06-3Free acid

Similar compounds

Ecdysone3604-87-332 % similar Protopanaxatriol1453-93-631 % similar Protopanaxatriol34080-08-531 % similar Ginsenoside rk3364779-15-730 % similar Ginsenoside F153963-43-230 % similar Ginsenoside rh163223-86-930 % similar Ginsenoside 20(R)-rh180952-71-230 % similar (20S)-Protopanaxadiol30636-90-930 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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