ChemSpider 2D Image | (7S,9Z,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z)-2,15,17,27,29-Pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-{(E)-[(4-methyl-1-piperazinyl)imino]methyl}-6,23-dioxo-8,30-dioxa-24-azatetracyc lo[23.3.1.1~4,7~.0~5,28~]triaconta-1(28),2,4,9,19,21,25(29),26-octaen-13-yl acetate | C43H58N4O12

(7S,9Z,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z)-2,15,17,27,29-Pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-{(E)-[(4-methyl-1-piperazinyl)imino]methyl}-6,23-dioxo-8,30-dioxa-24-azatetracyc lo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29),26-octaen-13-yl acetate

  • Molecular FormulaC43H58N4O12
  • Average mass822.940 Da
  • Monoisotopic mass822.405151 Da
  • ChemSpider ID24836345

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(7S,9Z,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z)-2,15,17,27,29-Pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-{(E)-[(4-methyl-1-piperazinyl)imino]methyl}-6,23-dioxo-8,30-dioxa-24-azatetracyc ;lo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29),26-octaen-13-yl acetate [ACD/IUPAC Name]
(7S,9Z,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z)-2,15,17,27,29-Pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-{(E)-[(4-methyl-1-piperazinyl)imino]methyl}-6,23-dioxo-8,30-dioxa-24-azatetracyc ;lo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29),26-octaen-13-yl-acetat [German] [ACD/IUPAC Name]
2,7-(Epoxy[1,11,13]pentadecatrienoimino)naphtho[2,1-b]furan-1,11(2H)-dione, 21-(acetyloxy)-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-8-[(E)-[(4-methyl-1-piperazinyl)imino]meth yl]-, (2S,12Z,14Z,16S,17S,18R,19R,20R,21S,22R,23S,24Z)- [ACD/Index Name]
Acétate de (7S,9Z,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z)-2,15,17,27,29-pentahydroxy-11-méthoxy-3,7,12,14,16,18,22-heptaméthyl-26-{(E)-[(4-méthyl-1-pipérazinyl)imino]méthyl}-6,23-dioxo-8,30-dioxa-24- ;azatétracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29),26-octaén-13-yle [French] [ACD/IUPAC Name]
[13292-46-1] [RN]
236-312-0 [EINECS]
3-[[(4-Methyl-1-piperazinyl)imino]methyl]-rifamycin
404886-32-4 [RN]
8-(n-(4-methyl-1-piperazinyl)formidoyl)-rifomycins
Fosbretabulin tromethamine [USAN]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Antibacterial MedChem Express HY-B0272
      Antibiotic; inhibits bacterial RNA polymerase. Prototypical activator of the pregnane X receptor (PXR). Tocris Bioscience 4121
      Anti-infection MedChem Express HY-B0272
      Anti-infection; MedChem Express HY-B0272
      Nuclear Receptors Tocris Bioscience 4121
      Pregnane X Receptor Tocris Bioscience 4121
      Pregnane X receptor agonist; antibiotic Tocris Bioscience 4121
      Rifampicin is a bactericidal antibiotic drug of the rifamycin group.; Target: Antibacterial; Rifampicin is a semisynthetic antibiotic produced from Streptomyces mediterranei. MedChem Express HY-B0272
      Rifampicin is a bactericidal antibiotic drug of the rifamycin group.;Target: AntibacterialRifampicin is a semisynthetic antibiotic produced from Streptomyces mediterranei. It has a broad antibacterial spectrum, including activity against several forms of Mycobacterium. In susceptible organisms it inhibits DNA-dependent RNA polymerase activity by forming a stable complex with the enzyme. It thus suppresses the initiation of RNA synthesis. Rifampin is bactericidal, and acts on both intracellular and extracellular organisms [1, 2]. MedChem Express HY-B0272

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 1004.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 153.5±3.0 kJ/mol
Flash Point: 561.3±34.3 °C
Index of Refraction: 1.613
Molar Refractivity: 213.1±0.5 cm3
#H bond acceptors: 16
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 1.09
ACD/LogD (pH 5.5): -0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.79
ACD/LogD (pH 7.4): -0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.20
Polar Surface Area: 220 Å2
Polarizability: 84.5±0.5 10-24cm3
Surface Tension: 48.0±7.0 dyne/cm
Molar Volume: 611.7±7.0 cm3

Click to predict properties on the Chemicalize site


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