Chem
J-GLOBAL ID：200907042186316848   Nikkaji number：J70.959J

(+)-Naltrexone

(+)-ナルトレキソン
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： C20H23NO4
Molecular formula furigana： C20-H23-N-O4
Molecular weight： 341.407
InChI： InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m0/s1
InChI key： DQCKKXVULJGBQN-OBZTUIKSSA-N
SMILES： Oc1ccc2C[C@@H]3N(CC4CC4)CC[C@]45[C@H](Oc1c24)C(=O)CC[C@]35O
Systematic name  (3)：
  • (9α,13α)-17-(シクロプロピルメチル)-4,5β-エポキシ-3,14α-ジヒドロキシモルフィナン-6-オン
  • (1R,5S,13S,17R)-4-(シクロプロピルメチル)-10,17-ジヒドロキシ-12-オキサ-4-アザペンタシクロ[9.6.1.01,13.05,17.07,18]オクタデカ-7,9,11(18)-トリエン-14-オン
  • (1R,5S,13S,17R)-4-(cyclopropylmethyl)-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18)-trien-14-one
Other name (3)：
  • (+)-Naltrexone
  • (+)-ナルトレキソン
  • (9α,13α)-17-(Cyclopropylmethyl)-4,5β-epoxy-3,14α-dihydroxymorphinan-6-one
CAS registry number： 91464-13-0
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