Rifandin

[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-[4-(2-methylpropyl)piperazin-1-yl]-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29),26-octaen-13-yl] acetate

Also Known As: Rifandin|Rifamdin|3-(4-Isobutyl-1-piperazinyl)rifamycin|Isobutylpiperazinylrifamycin SV|R 76-1|R 761|3-(1-isobutyl-1-piperazinyl)rifamycin SV|R-761|R-76-1|Rifamycin, 3-(4-(2-methylpropyl)-1-piperazinyl)-|Rifamycin, 3-[4-(2-methylpropyl)-1-piperazinyl]-|3-[4-(2-Methylpropyl)-1-piperazinyl]rifamycin|3-(4-Isobutyl-1-piperazinyl)rifamycin [WHO-DD]|[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-[4-(2-methylpropyl)piperazin-1-yl]-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29),26-octaen-13-yl] acetate|[pentahydroxy-(4-isobutylpiperazin-1-yl)-methoxy-heptamethyl-dioxo-[?]yl] acetate

Molecular Formula	C45H63N3O12
Molecular Weight	837.44116 g/mol
LogP	5.53212
Topological Polar Surface Area	207.79 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	14
Rotatable Bonds	5
Exact Mass	837.44116
Monoisotopic Mass	837.44116
Heavy Atoms	60
Complexity	2054.159

Chemical Identifiers

CAS Number	89499-17-2
SMILES	C[C@H]1/C=C/C=C(\C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C(=C2N5CCN(CC5)CC(C)C)O)O)/C