Chem
J-GLOBAL ID：200907070602571074   Nikkaji number：J581.284D

Desmethylranitidine

デスメチルラニチジン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C12H20N3[N+]O2[O-]S
Molecular formula furigana： C12-H20-N4-O3-S
Molecular weight： 300.380
InChI： InChI=1S/C12H20N4O3S/c1-15(2)7-10-3-4-11(19-10)9-20-6-5-14-12(13)8-16(17)18/h3-4,8,14H,5-7,9,13H2,1-2H3
InChI key： PUUXEVLYEUPUFR-UHFFFAOYSA-N
SMILES： CN(C)Cc1ccc(CSCCNC(=C[N+](=O)[O-])N)o1
Systematic name  (3)：
  • N-[2-[[[5-[(ジメチルアミノ)メチル]-2-フラニル]メチル]チオ]エチル]-2-ニトロ-1,1-エテンジアミン
  • (1-アミノ-2-ニトロエテニル)({2-[({5-[(ジメチルアミノ)メチル]フラン-2-イル}メチル)スルファニル]エチル})アミン
  • (1-amino-2-nitroethenyl)({2-[({5-[(dimethylamino)methyl]furan-2-yl}methyl)sulfanyl]ethyl})amine
Other name (3)：
  • デスメチルラニチジン
  • Desmethylranitidine
  • N-[2-[[[5-[(Dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-2-nitro-1,1-ethenediamine
CAS registry number： 66357-25-3
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