Chem
J-GLOBAL ID：200907094589632006   Nikkaji number：J554.764D

Dihydroetorphine

ジヒドロエトルフィン
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： C25H35NO4
Molecular formula furigana： C25-H35-N-O4
Molecular weight： 413.558
InChI： InChI=1S/C25H35NO4/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24/h6-7,17-18,21,27-28H,5,8-14H2,1-4H3/t17-,18-,21-,22-,23+,24+,25+/m1/s1
InChI key： BRTSNYPDACNMIP-GRUBLHMHSA-N
SMILES： CCC[C@@](C)(O)[C@H]1C[C@@]23CC[C@@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(C)CC[C@@]315)ccc4O
Systematic name  (3)：
  • (αR,6S)-4,5α-エポキシ-3-ヒドロキシ-6-メトキシ-α,17-ジメチル-α-プロピル-6β,14-エタノモルフィナン-7α-メタノール
  • (1R,2R,6S,14R,15S,16R)-16-[(2R)-2-ヒドロキシペンタン-2-イル]-15-メトキシ-3-メチル-13-オキサ-3-アザヘキサシクロ[13.2.2.12,8.01,6.06,14.07,12]イコサ-7(12),8,10-トリエン-11-オール
  • (1R,2R,6S,14R,15S,16R)-16-[(2R)-2-hydroxypentan-2-yl]-15-methoxy-3-methyl-13-oxa-3-azahexacyclo[13.2.2.12,8.01,6.06,14.07,12]icosa-7(12),8,10-trien-11-ol
Other name (3)：
  • ジヒドロエトルフィン
  • Dihydroetorphine
  • (αR,6S)-4,5α-Epoxy-3-hydroxy-6-methoxy-α,17-dimethyl-α-propyl-6β,14-ethanomorphinan-7α-methanol
CAS registry number： 14357-76-7
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