Showing Metabocard for rifampicin para-naphthoquinone carboxamide (BASm0010037)
| Common Name | Rifampicin para-naphthoquinone carboxamide |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C43H56N4O13 |
| Average Mass | 836.93700 |
| Monoisotopic Mass | 836.38549 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | CO[C@@H](/C=C/O[C@@]1(C)Oc2c(C)c([O-])c3c(c2C1=O)C(=O)C(/C=N/N1CCN(C)CC1)=C([O-])C3=O)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(N)=O |
| InChI Identifier | InChI=1S/C43H58N4O13/c1-21(12-11-13-22(2)42(44)56)33(49)24(4)34(50)25(5)39(59-27(7)48)23(3)29(57-10)14-19-58-43(8)41(55)32-30-31(35(51)26(6)40(32)60-43)38(54)37(53)28(36(30)52)20-45-47-17-15-46(9)16-18-47/h11-14,19-21,23-25,29,33-34,39,49-51,53H,15-18H2,1-10H3,(H2,44,56)/p-2/b12-11+,19-14+,22-13-,45-20+/t21-,23+,24+,25+,29-,33-,34+,39+,43-/m0/s1 |
| InChI Key | ABIUUBSHMGGSQA-OKVYCZLSSA-L |
| CHEBI ID | CHEBI:142731 |
| MiMeDB ID | MMDBc0056289 |
| State | Expected Solid |
| Water Solubility | Not Available |
| logS | Not Available |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | Not Available |
| Hydrogen Donor Count | Not Available |
| Rotatable Bond Count | Not Available |
| Physiological Charge | Not Available |
| Formal Charge | Not Available |
| Polarizability | Not Available |