Molecule ID: 3033888

IUPAC Name: N,N-dimethyl-1-[5-[2-[[(E)-1-(methylamino)-2-nitroethenyl]amino]ethylsulfanylmethyl]furan-2-yl]methanamine oxide

Description: The molecule is a N-oxide derivative of ranitidine. It has a role as a marine xenobiotic metabolite and a drug metabolite. It is a member of furans, a C-nitro compound and a N-oxide.

SMILES: CN/C(=C\[N+](=O)[O-])NCCSCc1ccc(C[N+](C)(C)[O-])o1

SELFIES: [C][N][/C][=Branch1][#Branch1][=C][\N+1][=Branch1][C][=O][O-1][N][C][C][S][C][C][=C][C][=C][Branch1][#Branch2][C][N+1][Branch1][C][C][Branch1][C][C][O-1][O][Ring1][#Branch2]

InChI: InChI=1S/C13H22N4O4S/c1-14-13(8-16(18)19)15-6-7-22-10-12-5-4-11(21-12)9-17(2,3)20/h4-5,8,14-15H,6-7,9-10H2,1-3H3/b13-8+

Molecular Properties:
- Polar Surface Area: 126.0 Ų
- LogP: -0.3