Rifamycin SV, 8-(4-methylpiperidinomethyl)-
[(9E,19E,21E)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-[(4-methylpiperidin-1-yl)methyl]-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate
Also Known As: NCI 144-148|Rifamycin SV, 8-(4-methylpiperidinomethyl)-|2,7-(Epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-1,11(2H)-dione, 5,6,9,17,19,21-hexahydroxy-2,4,12,16,18,20,22-heptamethyl-23-methoxy-8-(4-methylpiperidinomethyl)-, 21-acetate
| Molecular Formula | C44H60N2O12 |
|---|---|
| Molecular Weight | 808.4146 g/mol |
| LogP | 5.98602 |
| Topological Polar Surface Area | 204.55 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 4 |
| Exact Mass | 808.4146 |
| Monoisotopic Mass | 808.4146 |
| Heavy Atoms | 58 |
| Complexity | 1999.559 |
Chemical Identifiers
| CAS Number | 4075-47-2 |
|---|---|
| SMILES | CC1CCN(CC1)CC2=C3C(=C4C(=C2O)C5=C(C(=C4O)C)OC(C5=O)(O/C=C/C(C(C(C(C(C(C(C(/C=C/C=C(/C(=O)N3)\C)C)O)C)O)C)OC(=O)C)C)OC)C)O |
Product Overview
Rifamycin SV, 8-(4-methylpiperidinomethyl)- (CAS 4075-47-2), with molecular formula C44H60N2O12 and molecular weight 808.4146 g/mol. IUPAC: [(9E,19E,21E)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-[(4-methylpiperidin-1-yl)methyl]-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate.