Fusidic acid

C₃₁H₄₈O₆CAS 6990-06-3516.72 g/mol

Open in Covalent MOL file

Alcohol Alkene Carboxylic acid Ester

Properties

Molecular formula: C₃₁H₄₈O₆
Molar mass: 516.72 g/mol
Exact mass: 516.3451 Da
Melting point: 192.5 °C
logP: 5.67Crippen estimate
Polar surface area: 104.1 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 5
Stereocentres: S, S, R, R, S, S, R, S, S, Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed54.6% of notifiers
H315 Causes skin irritation46.2% of notifiers
H319 Causes serious eye irritation46.2% of notifiers
H335 May cause respiratory irritation47.1% of notifiers
H411 Toxic to aquatic life with long lasting effects43.7% of notifiers

Aggregated from 119 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

6990-06-3

SMILES

CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(CCC=C(C)C)C(=O)O

InChIKey

IECPWNUMDGFDKC-MZJAQBGESA-N

InChI

InChI=1S/C31H48O6/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

14 names · show all

29-Nordammara-17(20),24-dien-21-oic acid, 16-(acetyloxy)-3,11-dihydroxy-, (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, (Z)-
(3α,4α,8α,9β,11α,13α,14β,16β,17Z)-16-(Acetyloxy)-3,11-dihydroxy-29-nordammara-17(20),24-dien-21-oic acid
Ramycin
SQ 16603
Fucithalmic
Fusidinic acid
NSC 56192
Flucidin
Foban
Fugen
Optifucin
Phudicin
Usidin

Work with Fusidic acid

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.

Sodium fusidate751-94-0Salt

Similar compounds

Ecdysone3604-87-334 % similar Protopanaxatriol1453-93-632 % similar Protopanaxatriol34080-08-532 % similar (20S)-Protopanaxadiol30636-90-932 % similar Ginsenoside rk3364779-15-731 % similar Ginsenoside F153963-43-231 % similar Ginsenoside rh163223-86-931 % similar Ginsenoside 20(R)-rh180952-71-231 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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