Chemical identity

Dextromethorphan Hydrobromide

CAS 125-69-9 · C18H26BrNO

01Identity

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

Lazychem IDLC-100888
PubChem CID5464025
NameDextromethorphan Hydrobromide
CAS RN125-69-9
Molecular formulaC18H26BrNO
Molecular weight352.3 g/mol
IUPAC name(1S,9S,10S)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;hydrobromide
InChIKeyMISZALMBODQYFT-URVXVIKDSA-N

02Structure identifiers

2D structurePubChem CID 5464025
Two-dimensional chemical structure of Dextromethorphan Hydrobromide, CAS 125-69-9
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon, has 3 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres3
Unassigned stereocentres0
Ring count4
Secondary amines0
Tertiary amines1
N-methyl amine sites1
SMILESCN1CC[C@@]23CCCC[C@@H]2[C@@H]1CC4=C3C=C(C=C4)OC.Br
InChINot listed
Formula from structureC18H26BrNO
Molecular weight from structure352.3 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

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.

04Possible N-nitroso structures

Shown for structural screening only. These candidates are not confirmed impurities, formation predictions or analytical findings.

Matched amine site1 candidate
Chemical structure of Dextromethorphan Hydrobromide with the matched amine site highlighted in amber
Amber identifies the screened atom and adjacent bonds.
Possible structure candidateUnverified identity
First calculated possible N-nitroso structure derived from Dextromethorphan Hydrobromide, with the new N-nitroso group highlighted in amber
The new N-N=O atoms and bonds are highlighted. No CAS number or compound name is assigned by this calculation.
Candidate 1Possible N-nitroso structural candidate
Calculated formula
C17H23BrN2O2
Candidate SMILES
Br.COc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)N(N=O)CC3

Interpretation: A structural alert alone does not establish that a nitrosamine forms. Evaluate nitrite sources, amine reagents, pH, temperature, process sequence, purge and analytical evidence.

05India 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 125-69-9 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 125-69-9 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.

06Names and relationships

Associated parent compound

No parent compound is listed.

Other names

  • Dextromethorphan hydrobromide
  • 125-69-9
  • Delsym
  • Antussan
  • Demorphan
  • Tusilan
  • d-Methorphan hydrobromide
  • Romilar
  • Dextromethorphan bromide
  • Dextromethorphan HBr
  • Dextromethorphan polistirex
  • Dextromethorphan hydrobromide anhydrous

Related records from the same parent family

No related records are linked by parent name.

07Documented 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.

08Sources