Chem
J-GLOBAL ID：200907031993866663   Nikkaji number：J280.530H

Hydromorphone 3-glucuronide

ヒドロモルホン3-グルクロニド
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： C23H27NO9
Molecular formula furigana： C23-H27-N-O9
Molecular weight： 461.467
InChI： InChI=1S/C23H27NO9/c1-24-7-6-23-10-3-4-12(25)20(23)32-18-13(5-2-9(14(18)23)8-11(10)24)31-22-17(28)15(26)16(27)19(33-22)21(29)30/h2,5,10-11,15-17,19-20,22,26-28H,3-4,6-8H2,1H3,(H,29,30)/t10-,11+,15-,16-,17+,19-,20-,22+,23-/m0/s1
InChI key： VLSHIBYUEOPPRX-NSSRKTJTSA-N
SMILES： CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3CCC4=O)ccc5O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)O
Systematic name  (3)：
  • 4,5α-エポキシ-17-メチル-6-オキソモルフィナン-3-イルβ-D-グルコピラノシドウロン酸
  • (2S,3S,4S,5R,6S)-3,4,5-トリヒドロキシ-6-{[(1S,5R,13R,17R)-4-メチル-14-オキソ-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-10-イル]オキシ}オキサン-2-カルボン酸
  • (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[(1S,5R,13R,17R)-4-methyl-14-oxo-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18)-trien-10-yl]oxy}oxane-2-carboxylic acid
Other name (3)：
  • ヒドロモルホン3-グルクロニド
  • Hydromorphone 3-glucuronide
  • 4,5α-Epoxy-17-methyl-6-oxomorphinan-3-yl β-D-glucopyranosiduronic acid
CAS registry number： 40505-76-8
Thsaurus map：
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