Tunnistetiedot

Beta-naloxol

Ei ilmoitettu · C19H23NO4

01Tunnistetiedot

Lazychem IDLC-46703
CAS RNEi ilmoitettu
PubChem CID11002006
Molecular formulaC19H23NO4
Molecular weight329.4 g/mol
IUPAC name(4R,4aS,7R,7aR,12bS)-3-prop-2-enyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol
InChIKeyHMWHERQFMBEHNG-CSJNCLCHSA-N

02Rakenne ja stereokemia

2D structurePubChem CID 11002006
Two-dimensional chemical structure of Beta-naloxol
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.
SMILESC=CCN1CC[C@]23[C@@H]4[C@@H](CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O)O
InChIEi ilmoitettu

03Stereochemistry

The published structure contains 5 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres5Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 32Before symmetry reduction

Published same-connectivity configurations

2 records

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04Tila Intiassa

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Nimet ja suhteet

API ja emolääke

Ei ilmoitettu

Nimet ja suhteet

    Epäpuhtaudet ja lähiyhdisteet

      06Lähteet