Chem
J-GLOBAL ID：200907081478626797   Nikkaji number：J563.823B

Alnespirone

アルネスピロン
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： C26H38N2O4
Molecular formula furigana： C26-H38-N2-O4
Molecular weight： 442.600
InChI： InChI=1S/C26H38N2O4/c1-3-13-27(20-16-21-22(31-2)9-8-10-23(21)32-19-20)14-6-7-15-28-24(29)17-26(18-25(28)30)11-4-5-12-26/h8-10,20H,3-7,11-19H2,1-2H3/t20-/m0/s1
InChI key： DLLULNTXJPATBC-FQEVSTJZSA-N
SMILES： CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)[C@@H]1COc2cccc(OC)c2C1
Systematic name  (4)：
  • 8-[4-[[(5-メトキシ-3,4-ジヒドロ-2H-1-ベンゾピラン)-3β-イル]プロピルアミノ]ブチル]-8-アザスピロ[4.5]デカン-7,9-ジオン
  • 8-[4-[[[(S)-3,4-ジヒドロ-5-メトキシ-2H-1-ベンゾピラン]-3-イル]プロピルアミノ]ブチル]-8-アザスピロ[4.5]デカン-7,9-ジオン
  • 8-(4-{[(3S)-5-メトキシ-3,4-ジヒドロ-2H-1-ベンゾピラン-3-イル](プロピル)アミノ}ブチル)-8-アザスピロ[4.5]デカン-7,9-ジオン
  • 8-(4-{[(3S)-5-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl](propyl)amino}butyl)-8-azaspiro[4.5]decane-7,9-dione
Other name (4)：
  • 8-[4-[[[(S)-3,4-Dihydro-5-methoxy-2H-1-benzopyran]-3-yl]propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione
  • 8-[4-[[5-Methoxy-3,4-dihydro-2H-1-benzopyran-3β-yl]propylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione
  • アルネスピロン
  • Alnespirone
CAS registry number： 138298-79-0
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