Rifapentine hydrochlorideProduct ingredient for Rifapentine
- Name
- Rifapentine hydrochloride
- Drug Entry
- Rifapentine
Rifapentine is an antibiotic drug used in the treatment of tuberculosis. It inhibits DNA-dependent RNA polymerase activity in susceptible cells. Specifically, it interacts with bacterial RNA polymerase but does not inhibit the mammalian enzyme.
- Accession Number
- DBSALT002329
- Structure
Structure for Rifapentine hydrochloride (DBSALT002329)
- Synonyms
- Not Available
- UNII
- 5915QBW8LA
- CAS Number
- 127923-87-9
- Weight
- Average: 913.5
Monoisotopic: 912.4287512 - Chemical Formula
- C47H65ClN4O12
- InChI Key
- YAXMCEWRTZAGIM-ZYFLDTFVSA-N
- InChI
- InChI=1S/C47H64N4O12.ClH/c1-24-13-12-14-25(2)46(59)49-37-32(23-48-51-20-18-50(19-21-51)31-15-10-11-16-31)41(56)34-35(42(37)57)40(55)29(6)44-36(34)45(58)47(8,63-44)61-22-17-33(60-9)26(3)43(62-30(7)52)28(5)39(54)27(4)38(24)53;/h12-14,17,22-24,26-28,31,33,38-39,43,53-57H,10-11,15-16,18-21H2,1-9H3,(H,49,59);1H/b13-12-,22-17-,25-14-,48-23+;/t24-,26+,27+,28+,33-,38-,39+,43+,47-;/m0./s1
- IUPAC Name
- (7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-26-[(1E)-[(4-cyclopentylpiperazin-1-yl)imino]methyl]-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-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-13-yl acetate hydrochloride
- SMILES
- Cl.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(CC1)C1CCCC1)=C(O)C4=C3C2=O
- External Links
- ChemSpider
- 52085314
- Predicted Properties
Property Value Source Water Solubility 0.0213 mg/mL ALOGPS logP 4.83 ALOGPS logP 3.7 Chemaxon logS -4.6 ALOGPS pKa (Strongest Acidic) 6.99 Chemaxon pKa (Strongest Basic) 7.88 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 14 Chemaxon Hydrogen Donor Count 6 Chemaxon Polar Surface Area 220.15 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 242 m3·mol-1 Chemaxon Polarizability 94.73 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon