Rifamycin O

Product Specifications

CAS Number

14487-05-9

Synonyms

4-O-(Carboxymethyl)-1-deoxy-1,4-dihydro-4-hydroxy-1-oxo-rifamycin γ-Lactone; NSC 182391; Rifaximin EP Impurity F;

Hazard Statement

May cause damage to organs; UN number: UN3077; Packing Group: III

Purity

>95% (HPLC)

Smiles

O=C1C2=C3C(C(C4=CC35OC(CO5)=O)=O)=C(O)C(C)=C2O[C@]1(C)O/C=C/[C@H](OC)[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(N4)=O

Molecular Formula

C39H47NO14

Molecular Weight

753.79

InChI

InChI=1S/C39H47NO14/c1-17-11-10-12-18(2)37(48)40-24-15-39(51-16-26(42)53-39)29-27(33(24)46)32(45)22(6)35-28(29)36(47)38(8,54-35)50-14-13-25(49-9)19(3)34(52-23(7)41)21(5)31(44)20(4)30(17)43/h10-15,17,19-21,25,30-31,34,43-45H,16H2,1-9H3,(H,40,48)/b11-10+,14-13+,18-12-/t17?,19?,20?,21?,25?,30-,31+,34?,38?,39?/m0/s1

Additionnal Information

IUPAC name: InChI=1S/C39H47NO14/c1-17-11-10-12-18(2)37(48)40-24-15-39(51-16-26(42)53-39)29-27(33(24)46)32(45)22(6)35-28(29)36(47)38(8,54-35)50-14-13-25(49-9)19(3)34(52-23(7)41)21(5)31(44)20(4)30(17)43/h10-15,17,19-21,25,30-31,34,43-45H,16H2,1-9H3,(H,40,48)/b11-10+,14-13+,18-12-/t17?,19?,20?,21?,25?,30-,31+,34?,38?,39?/m0/s1