Chem
J-GLOBAL ID：200907001082794049   Nikkaji number：J345.375H

Methylnaloxonium

メチルナロキソニウム
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： C20H24[N+]O4
Molecular formula furigana： C20-H24-N-O4
Molecular weight： 342.414
InChI： InChI=1S/C20H23NO4/c1-3-9-21(2)10-8-19-16-12-4-5-13(22)17(16)25-18(19)14(23)6-7-20(19,24)15(21)11-12/h3-5,15,18,24H,1,6-11H2,2H3/p+1/t15-,18+,19+,20-,21?/m1/s1
InChI key： PCSQOABIHJXZMR-MGQKVWQSSA-O
SMILES： C[N+]1(CC=C)CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CCC4=O)ccc5O
Systematic name  (5)：
  • 4,5α-エポキシ-3,14-ジヒドロキシ-17-メチル-6-オキソ-17-(2-プロペニル)モルフィナニウム
  • (5α)-4,5-エポキシ-3,14-ジヒドロキシ-17-メチル-6-オキソ-17-(2-プロペニル)モルフィナン-17-イウム
  • (5R)-4,5α-エポキシ-3,14-ジヒドロキシ-17-メチル-6-オキソ-17-(2-プロペニル)モルフィナン-17-イウム
  • (1S,5R,13R,17S)-10,17-ジヒドロキシ-4-メチル-14-オキソ-4-(プロパ-2-エン-1-イル)-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-4-イウム
  • (1S,5R,13R,17S)-10,17-dihydroxy-4-methyl-14-oxo-4-(prop-2-en-1-yl)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18)-trien-4-ium
Other name (7)：
  • (5α)-4,5-Epoxy-3,14-dihydroxy-17-methyl-6-oxo-17-(2-propenyl)morphinan-17-ium
  • 4,5α-Epoxy-3,14-dihydroxy-17-methyl-6-oxo-17-(2-propenyl)morphinanium
  • メチルナロキソニウム
  • Methylnaloxonium
  • (5R)-4,5α-Epoxy-3,14-dihydroxy-17-methyl-6-oxo-17-(2-propenyl)morphinan-17-ium
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CAS registry number： 73232-50-5
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