RFP
- Molecular formula
- C43 H58 N4 O12
- Molecular weight (g/mol)
- 822.95
- Classification
- NATURAL_PRODUCT
Related PDB structures · 1
Names & identifiers
- IUPAC name
- RIFAMPICIN
- SMILES
- Cc1c(c2c3c4c1OC(C4=O)(OC=CC(C(C(C(C(C(C(C(C=CC=C(C(=O)Nc(c2O)c(c3O)C=NN5CCN(CC5)C)C)C)O)C)O)C)OC(=O)C)C)OC)C)O
- Isomeric SMILES
- Cc1c(c2c3c4c1O[C@@](C4=O)(OC=C[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](C=CC=C(/C(=O)Nc(c2O)c(c3O)C=NN5CCN(CC5)C)C)C)O)C)O)C)OC(=O)C)C)OC)C)O
- InChI
- InChI=1S/C43H58N4O12/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)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1
- InChIKey
- JQXXHWHPUNPDRT-WLSIYKJHSA-N
- CAS
- 13292-46-1
- ATC codes
- J04BA50, J04AM12, J04AM02, J04BA51, J04AB02, J04AM06, J04AM05, J04AM07
Chemical & physical properties
- HBA
- 15
- HBD
- 6
- TPSA (Ų)
- 220.15
- cLogP
- 4.34
- Chiral atoms
- 9
- Molar refractivity
- 220.48
- Rings
- 6
- Aromatic rings
- 2
- Fraction Csp³
- 0.53
- Formal charge
- 0
Calculated properties
QED0.109
NPScore0.228571082
SAScore9.730149915
Related databases
ChEMBL · CHEMBL374478 PubChem · 135398735 PubChem · 136262914 ChEBI · CHEBI:28077 ChEBI · CHEBI:71365 DrugBank · DB01045 (approved, investigational)
- Brand names
- Rifadin IV NOVAPLUS, Rifadin, Rofact, Rifadin IV, Rifater, Rifampin, IsonaRif, Rifamate, Rifadin Cap 300mg