Rifampicin sodiumProduct ingredient for Rifampin
- Name
- Rifampicin sodium
- Drug Entry
- Rifampin
Rifampin, also known as rifampicin, is a broad-spectrum antimicrobial 1 that was first discovered in 1965 2 and clinically used in 1968.6 Rifampin is used to treat tuberculosis and works by inhibiting the microbial DNA-dependent RNA polymerase (RNAP).6
- Accession Number
- DBSALT001014
- Structure
Structure for Rifampicin sodium (DBSALT001014)
- Synonyms
- Not Available
- UNII
- GPE7477YEK
- CAS Number
- 38776-75-9
- Weight
- Average: 844.935
Monoisotopic: 844.38706757 - Chemical Formula
- C43H57N4NaO12
- InChI Key
- PPGHYTPFGILTSZ-LGIBZRBQSA-M
- InChI
- InChI=1S/C43H58N4O12.Na/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);/q;+1/p-1/b12-11-,19-14-,22-13-,44-20+;/t21-,23+,24+,25+,29-,34-,35+,39+,43-;/m0./s1
- IUPAC Name
- sodium (7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-13-(acetyloxy)-2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-[(1E)-[(4-methylpiperazin-1-yl)imino]methyl]-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1,3,5(28),9,19,21,25(29),26-octaen-27-olate
- SMILES
- [Na+].CO[C@H]1\C=C/O[C@@]2(C)OC3=C(C)C(O)=C4C(O)=C(NC(=O)\C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C(\C=N\N1CCN(C)CC1)=C([O-])C4=C3C2=O
- External Links
- ChemSpider
- 52085882
- Predicted Properties
Property Value Source Water Solubility 0.0447 mg/mL ALOGPS logP 4.15 ALOGPS logP 2.95 Chemaxon logS -4.3 ALOGPS pKa (Strongest Acidic) 6.8 Chemaxon pKa (Strongest Basic) 7.37 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 14 Chemaxon Hydrogen Donor Count 5 Chemaxon Polar Surface Area 222.98 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 236.13 m3·mol-1 Chemaxon Polarizability 87.27 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon