chempirical

Rifamycin sodium

C37H46NNaO12CAS 14897-39-3719.76 g/mol

Open in Covalent MOL file
OOOO−OHHOONHOOHHOOONa+
AcetalAlcoholAlkeneEsterEtherKetonePhenol

Properties

Molecular formula
C37H46NNaO12
Molar mass
719.76 g/mol
Exact mass
719.2918 Da
logP
5.02Crippen estimate
Polar surface area
204.8 Ų
H-bond donors / acceptors
6 / 12
Rotatable bonds
2
Stereocentres
S, S, S, S, R, R, R, S, Rin SMILES atom order
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
14897-39-3
SMILES
CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c([O-])c4c(O)c(cc(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C.[Na+]
InChIKey
URCDBMLCEGDNOK-NLYBMVFSSA-N
InChI
InChI=1S/C37H47NO12.Na/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41;/h10-16,18-20,25,29-30,33,40-44H,1-9H3,(H,38,46);/b11-10+,14-13+,17-12-;/t16-,18+,19+,20+,25-,29-,30+,33+,37-;/m0./s1

Weigh it out

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

Names and synonyms

11 names
  • Rifamycin, sodium salt (1:1)
  • 2,7-(Epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan-1,11(2H)-dione, 5,6,9,17,19,21-hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-, 21-acetate, sodium salt
  • Rifamycin, monosodium salt
  • 2,7-(Epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan, rifamycin deriv.
  • Rifamycin SV sodium salt
  • Rifamycin SV sodium
  • Monosodium rifamycin SV
  • Rifamycin sodium salt
  • Tuborin
  • NSC 146718
  • CB 01-11

Work with Rifamycin sodium

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

Similar compounds

3-Formylrifamycin13292-22-361 % similar Rifamycin S13553-79-258 % similar Rifaximin80621-81-456 % similar Rifampicin13292-46-155 % similar Rifapentine61379-65-554 % similar Rifamycin O14487-05-954 % similar Rifabutin72559-06-951 % similar

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

Elsewhere

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