N-Nitroso N-Desmethyl Rifampicin

● Under Development

Catalogue No.:	VE0024907
CAS No.:	N/A
Mol. Formula:	C42H55N5O13
Mol. Weight:	837.9 g/mol

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Additional information on N-Nitroso N-Desmethyl Rifampicin

Parent drug

Rifampicin

IUPAC Name

N-Nitroso N-Desmethyl Rifampicin

Pharmacopeial Synonyms

N/A

Synonyms

N/A

Smiles

O=NN1CCN(/N=C/C2=C(N3)C(O)=C(C(O)=C(C)C(O[C@]4(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)\C3=O)=C5C4=O)C5=C2O)CC1

InChI

InChI=1S/C42H55N5O13/c1-20-11-10-12-21(2)41(55)44-32-27(19-43-46-14-16-47(45-56)17-15-46)36(52)29-30(37(32)53)35(51)25(6)39-31(29)40(54)42(8, 60-39)58-18-13-28(57-9)22(3)38(59-26(7)48)24(5)34(50)23(4)33(20)49/h10-13, 18-20, 22-24, 28, 33-34, 38, 49-53H, 14-17H2, 1-9H3, (H, 44, 55)/b11-10+, 18-13+, 21-12-, 43-19+/t20-, 22+, 23+, 24+, 28-, 33-, 34+, 38+, 42-/m0/s1

Description

N-Nitroso N-Desmethyl Rifampicin is a structurally defined nitrosamine impurity derived from rifampicin, characterized by N-nitrosation of the desmethyl analogue. With molecular formula C42H55N5O13 and molecular weight 837.9 g/mol, it represents a high-concern trace contaminant because nitrosamines are commonly assessed under ICH M7 due to potential genotoxicity and carcinogenic risk. Formation may arise during nitrosating conditions, process contamination, or oxidative degradation in the presence of nitrite sources. Sensitive characterization typically requires LC-MS/MS, high-resolution mass spectrometry, and, where needed, orthogonal chromatographic separation with UV and confirmatory MS fragmentation.