Chem
J-GLOBAL ID：200907014756207122   Nikkaji number：J2.480.042C

trans-Morphine

trans-モルフィン
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： C17H19NO3
Molecular formula furigana： C17-H19-N-O3
Molecular weight： 285.343
InChI： InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11-,13+,16+,17+/m1/s1
InChI key： BQJCRHHNABKAKU-CNQLIBLSSA-N
SMILES： CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@H]3C=C[C@@H]4O)ccc5O
Systematic name  (3)：
  • (5α,6α,14α)-7,8-ジデヒドロ-4,5-エポキシ-17-メチルモルフィナン-3,6-ジオール
  • (1S,5R,13R,14S,17S)-4-メチル-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),15-テトラエン-10,14-ジオール
  • (1S,5R,13R,14S,17S)-4-methyl-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18),15-tetraene-10,14-diol
Other name (3)：
  • (5α,6α,14α)-7,8-Didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol
  • trans-モルフィン
  • trans-Morphine
CAS registry number： 16206-77-2
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