Chem
J-GLOBAL ID：201807016306151596   Nikkaji number：J3.722.568A

(S)-EMB-FUBINACA

N-[(S)-1-(エトキシカルボニル)-2-メチルプロピル]-1-(4-フルオロベンジル)-1H-インダゾール-3-カルボアミド
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： C22H24FN3O3
Molecular formula furigana： C22-H24-F-N3-O3
Molecular weight： 397.450
InChI： InChI=1S/C22H24FN3O3/c1-4-29-22(28)19(14(2)3)24-21(27)20-17-7-5-6-8-18(17)26(25-20)13-15-9-11-16(23)12-10-15/h5-12,14,19H,4,13H2,1-3H3,(H,24,27)/t19-/m0/s1
InChI key： YOECWCNJGHHTMN-IBGZPJMESA-N
SMILES： CCOC(=O)[C@@H](NC(=O)c1nn(Cc2ccc(F)cc2)c2ccccc12)C(C)C
Systematic name  (3)：
  • N-[(S)-1-(エトキシカルボニル)-2-メチルプロピル]-1-(4-フルオロベンジル)-1H-インダゾール-3-カルボアミド
  • エチル (2S)-2-({1-[(4-フルオロフェニル)メチル]-1H-インダゾール-3-イル}ホルムアミド)-3-メチルブタノアート
  • ethyl (2S)-2-({1-[(4-fluorophenyl)methyl]-1H-indazol-3-yl}formamido)-3-methylbutanoate
Other name (2)：
  • N-[(S)-1-(Ethoxycarbonyl)-2-methylpropyl]-1-(4-fluorobenzyl)-1H-indazole-3-carboxamide
  • (S)-EMB-FUBINACA
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