Identiteet

Butorphanol

CAS 42408-82-2 · C21H29NO2

01Identiteet

Lazychem IDLC-100731
CAS RN42408-82-2
PubChem CID5361092
Molecular formulaC21H29NO2
Molecular weight327.5 g/mol
IUPAC name(1S,9R,10S)-17-(cyclobutylmethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,10-diol
InChIKeyIFKLAQQSCNILHL-QHAWAJNXSA-N

02Struktuur ja stereokeemia

2D structurePubChem CID 5361092
Two-dimensional chemical structure of Butorphanol, CAS 42408-82-2
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 5 rings, includes aromatic atoms, includes aliphatic carbon, has 3 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres3
Ring count5
Secondary amines0
Tertiary amines1
SMILESC1CC[C@]2([C@H]3CC4=C([C@]2(C1)CCN3CC5CCC5)C=C(C=C4)O)O
InChIPole loetletud

03Stereochemistry

The published structure contains 3 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres3Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 8Before symmetry reduction

Published same-connectivity configurations

1 record

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.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

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.

04Staatus Indias

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

05Nimed ja seosed

API ja lähteravim

Pole loetletud

Nimed ja seosed

  • butorphanol
  • Butorfanol
  • 42408-82-2
  • levo-BC-2627
  • Butorphanolum
  • (-)-17-(Cyclobutylmethyl)morphinan-3,14-diol
  • Morphinan-3,14-diol, 17-(cyclobutylmethyl)-
  • (-)-N-cyclobutylmethyl-3,14-dihydroxymorphinan
  • QV897JC36D
  • CHEBI:3242
  • DTXSID1022714
  • (1S,9R,10S)-17-(cyclobutylmethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,10-diol

Lisandid ja seotud ühendid

    06Allikad