3-Amino-4-deoxo-4-iminorifamycin S

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

Also Known As: Rifabutin impurity D|3-Amino-4-imidorifamycin S|Rifabutin impurity D [EP]|3-amino-4-iminorifamycin-S|3-Amino-4-deoxo-4-iminorifamycin S|3-Amino-4-imino-rifamycinS|3-Amino-4-imino-rifamycin S|3-Amino-4-deoxo-4-imino-rifamycin S|RIFABUTIN IMPURITY D [EP IMPURITY]|3-Amino-4-deoxy-4-imino Rifamycin S|RIFABUTIN IMPURITY D (EP IMPURITY)|3-Amino-1,4-dideoxy-1,4-dihydro-4-imino-1-oxorifamycin|Rifamycin, 3-amino-1,4-dideoxy-1,4-dihydro-4-imino-1-oxo-|(amino-trihydroxy-imino-methoxy-heptamethyl-trioxo-[?]yl) acetate|[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-26,27-diamino-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,29-trioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,24,26-octaen-13-yl] acetate|2,7-(Epoxy[1,11,13]pentadecatrienoimino)naphtho[2,1-b]furan-1,6,11(2H,9H)-trione, 21-(acetyloxy)-8-amino-5,17,19-trihydroxy-9-imino-23-methoxy-2,4,12,16,18,20,22-heptamethyl-, (2S,16S,17S,18R,19R,20R,21S,22R,23S)-|612-936-2

Molecular Formula	C37H47N3O11
Molecular Weight	709.32104 g/mol
LogP	3.00112
Topological Polar Surface Area	230.29 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	13
Rotatable Bonds	2
Exact Mass	709.32104
Monoisotopic Mass	709.32104
Heavy Atoms	51
Complexity	1791.2662

Chemical Identifiers

CAS Number	62041-01-4
SMILES	C[C@H]1/C=C/C=C(\C(=O)N=C2C(=C(C3=C(C2=O)C(=C(C4=C3C(=O)[C@](O4)(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)O)N)N)/C