ChemSpider 2D Image | Rifaximin | C43H51N3O11

Rifaximin

  • Molecular FormulaC43H51N3O11
  • Average mass785.878 Da
  • Monoisotopic mass785.352356 Da
  • ChemSpider ID10482302

  • 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,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,36-Tetrahydroxy-11-methoxy-3,7,12,14,16,18,22,30-octamethyl-6,23-dioxo-8,37-dioxa-24,27,33-triazahexacyclo[23.10.1.14,7.05,35.026,34.027, 32]heptatriaconta-1(35),2,4,9,19,21,25(36),26(34),28,30,32-undecaen-13-yl acetate [ACD/IUPAC Name]
(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,36-Tetrahydroxy-11-methoxy-3,7,12,14,16,18,22,30-octamethyl-6,23-dioxo-8,37-dioxa-24,27,33-triazahexacyclo[23.10.1.14,7.05,35.026,34.027, 32]heptatriaconta-1(35),2,4,9,19,21,25(36),26(34),28,30,32-undecaen-13-yl-acetat [German] [ACD/IUPAC Name]
(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,36-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22,30-octamethyl-6,23-dioxo-8,37-dioxa-24,27,33-triazahexacyclo[23.10.1.14,7.05,35.026,34.027,32]heptatriaconta-1(35),1(36),2,4,9,19,21,25,28,30,32,34-dodecaen-13-yl acetate
(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,36-Tetrahydroxy-11-methoxy-3,7,12,14,16,18,22,30-octamethyl-6,23-dioxo-8,37-dioxa-24,27,33-triazahexacyclo[23.10.1.14,7.05,35.026,34.027,32]heptatriaconta-1(35),1(36),2,4,9,19,21,25,28,30,32,34-dodecaen-13-ylacetat [German]
(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,36-Tetrahydroxy-11-methoxy-3,7,12,14,16,18,22,30-octamethyl-6,23-dioxo-8,37-dioxa-24,27,33-triazahexacyclo[23.10.1.14,7.05,35.026,34.027,32]heptatriaconta-1(35),2,4,9,19,21,25(36),26(34),28,30,32-undecaen-13-yl acetate
2,7-(Epoxy[1,11,13]pentadecatrienoimino)furo[2'',3'':7',8']naphth[1',2':4,5]imidazo[1,2-a]pyridine-1,15(2H)-dione, 25-(acetyloxy)-5,6,21,23-tetrahydroxy-27-methoxy-2,4,11,16,20,22,24,26-octamethyl-, ( 2S,16Z,18E,20S,21S,22R,23R,24R,25S,26R,27S,28E)- [ACD/Index Name]
2,7-(epoxy[1,11,13]pentadecatrienoimino)furo[2'',3'':7',8']naphth[1',2':4,5]imidazo[1,2-a]pyridine-1,15(2H)-dione, 25-(acetyloxy)-5,6,21,23-tetrahydroxy-27-methoxy-2,4,11,16,20,22,24,26-octamethyl-, (2S,16Z,18E,20S,21S,22R,23R,24R,25S,26R,27S,28E)-
80621-81-4 [RN]
Acétate de (7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,36-tétrahydroxy-11-méthoxy-3,7,12,14,16,18,22,30-octaméthyl-6,23-dioxo-8,37-dioxa-24,27,33-triazahexacyclo[23.10.1.14,7.05,35.02 6,34.027,32]heptatriaconta-1(35),2,4,9,19,21,25(36),26(34),28,30,32-undécaén-13-yle [French] [ACD/IUPAC Name]
acétate de (7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,36-tétrahydroxy-11-méthoxy-3,7,12,14,16,18,22,30-octaméthyl-6,23-dioxo-8,37-dioxa-24,27,33-triazahexacyclo[23.10.1.14,7.05,35.026,34.027,32]heptatriaconta-1(35),1(36),2,4,9,19,21,25,28,30,32,34-dodécaén-13-yle
More...

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

a-0817185 [DBID]
α-0817185 [DBID]
BRN 3584528 [DBID]
D02554 [DBID]
L 105 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Chemical Class:

      A semisynthetic member of the class of rifamycins and non-systemic gastrointestinal site-specific broad spectrum antibiotic. Used in the treatment of traveller's diarrhoea, hepatic encephalopathy and irritable bowel syndrome. ChEBI CHEBI:75246

    • Bio Activity:

      Antibiotic and Pregane X receptor (PXR) agonist. Binds to the ?-subunit of bacterial RNA polymerase to interfere with transcription to block translocation. Hello Bio HB2568
      Antibiotic and Pregane X receptor (PXR) agonist. Binds to the žì-subunit of bacterial RNA polymerase to interfere with transcription to block translocation. Hello Bio HB2568
      Antibiotic and Pregane X receptor agonist Hello Bio HB2568
      Antibiotics Hello Bio HB2568

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.634
Molar Refractivity: 205.7±0.5 cm3
#H bond acceptors: 14
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 3.22
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 8.48
ACD/KOC (pH 5.5): 52.55
ACD/LogD (pH 7.4): 0.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.45
Polar Surface Area: 198 Å2
Polarizability: 81.5±0.5 10-24cm3
Surface Tension: 48.2±7.0 dyne/cm
Molar Volume: 575.3±7.0 cm3

Click to predict properties on the Chemicalize site


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