chempirical

Rifampicin

C43H58N4O12CAS 13292-46-1822.95 g/mol

Open in Covalent MOL file
OOOOHOHNNNHOONHOOHHOOO
AcetalAlcoholAlkeneEsterEtherHydrazoneKetonePhenolTertiary amine

Properties

Molecular formula
C43H58N4O12
Molar mass
822.95 g/mol
Exact mass
822.4051 Da
Melting point
184–185 °C
logP
4.98Crippen estimate
Polar surface area
223.6 Ų
H-bond donors / acceptors
6 / 15
Rotatable bonds
4
Stereocentres
S, S, S, S, R, R, R, S, Rin SMILES atom order
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
13292-46-1
SMILES
CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCN(C)CC5)c(O)c4c3C2=O)N=C(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
InChIKey
JQXXHWHPUNPDRT-ZNQWNCHJSA-N
InChI
InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20?/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1

Weigh it out

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

Names and synonyms

37 names · show all
  • Rifamycin, 3-[[(4-methyl-1-piperazinyl)imino]methyl]-
  • 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-8-[N-(4-methyl-1-piperazinyl)formimidoyl]-, 21-acetate
  • 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-2,4,12,16,20,22-heptamethyl-8-[N-(4-methyl-1-piperazinyl)formimidoyl]-, 21-acetate
  • 2,7-(Epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan, rifamycin deriv.
  • 3-[[(4-Methyl-1-piperazinyl)imino]methyl]rifamycin
  • 5,6,9,17,19,21-Hexahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-[N-(4-methyl-1-piperazinyl)formimidoyl]-2,7-(epoxypentadeca[1,11,13]trienimino)-naphtho[2,1-b]furan-1,11(2H)-dione 21-acetate
  • Rifampin
  • Rifaldazine
  • Rifamycin AMP
  • Rimactan
  • Rifampicin SV
  • Rifadin
  • 3-[(4-Methyl-1-piperazinyl)iminomethyl]rifamycin SV
  • R/AMP
  • Rifa
  • Rifadine
  • Rifaldin
  • Rifoldine
  • Riforal
  • Tubocin
  • NSC 113926
  • Sinerdol
  • Famcin
  • R-Cin
  • Rimapen
  • NIH 10782
  • Rifaprodin
  • Eremfat
  • Refampicin
  • Ba 41166/E
  • Rimactane
  • Abrifam
  • Rifoldin
  • L 5103 Lepetit
  • Rifacap
  • Rifodex
  • Rifactine

Work with Rifampicin

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

Rifapentine61379-65-588 % similar 3-Formylrifamycin13292-22-381 % similar Rifaximin80621-81-466 % similar Rifamycin S13553-79-263 % similar Rifamycin O14487-05-960 % similar Rifabutin72559-06-958 % similar Rifamycin sodium14897-39-355 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook