Chemical identity

Butorphanol

CAS 42408-82-2 · C21H29NO2

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-100731
PubChem CID5361092
NameButorphanol
CAS RN42408-82-2
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

02Structure identifiers

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
Unassigned stereocentres0
Ring count5
Secondary amines0
Tertiary amines1
N-methyl amine sites0
SMILESC1CC[C@]2([C@H]3CC4=C([C@]2(C1)CCN3CC5CCC5)C=C(C=C4)O)O
InChINot listed
Formula from structureC21H29NO2
Molecular weight from structure327.5 g/mol

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.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 42408-82-2 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 42408-82-2 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

No parent compound is listed.

Other names

  • 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

Related records from the same parent family

No related records are linked by parent name.

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources