Chem
J-GLOBAL ID:201007097416872575   Nikkaji number:J2.795.664E

Fexaramine

フェキサラミン
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: C32H36N2O3
Molecular formula furigana: C32-H36-N2-O3
Molecular weight: 496.651
InChI: InChI=1S/C32H36N2O3/c1-33(2)29-19-17-27(18-20-29)26-15-12-25(13-16-26)23-34(32(36)28-9-5-4-6-10-28)30-11-7-8-24(22-30)14-21-31(35)37-3/h7-8,11-22,28H,4-6,9-10,23H2,1-3H3
InChI key: VLQTUNDJHLEFEQ-UHFFFAOYSA-N
SMILES: COC(=O)C=Cc1cccc(c1)N(Cc1ccc(cc1)c1ccc(cc1)N(C)C)C(=O)C1CCCCC1
Systematic name  (3):
  • 3-[3-[(シクロヘキシルカルボニル)[4′-(ジメチルアミノ)-4-ビフェニリルメチル]アミノ]フェニル]プロペン酸メチル
  • メチル 3-[3-(N-{[4'-(ジメチルアミノ)-[1,1'-ビフェニル]-4-イル]メチル}シクロヘキサネアミド)フェニル]プロパ-2-エノアート
  • methyl 3-[3-(N-{[4'-(dimethylamino)-[1,1'-biphenyl]-4-yl]methyl}cyclohexaneamido)phenyl]prop-2-enoate
Other name (3):
  • 3-[3-[(Cyclohexylcarbonyl)[4′-(dimethylamino)-4-biphenylylmethyl]amino]phenyl]propenoic acid methyl ester
  • Fexaramine
  • フェキサラミン
CAS registry number: 574013-66-4
KEGG COMPOUND: C15649
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