Chemical identity

Diphenhydramine EP Impurity B / 4-Methyldiphenhydramine / Orphenadrine para-Methyl Analog / Toladryl

CAS 19804-27-4 · C18H23NO

01Identity

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

Lazychem IDLC-13132
PubChem CID19935
NameDiphenhydramine EP Impurity B / 4-Methyldiphenhydramine / Orphenadrine para-Methyl Analog / Toladryl
CAS RN19804-27-4
Molecular formulaC18H23NO
Molecular weight269.38 g/mol
IUPAC nameN,N-Dimethyl-2-[(4-methylphenyl)phenylmethoxy]ethanamine
InChIKeyPJUYQWIDNIAHIZ-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 19935
2D structure: Diphenhydramine EP Impurity B / 4-Methyldiphenhydramine / Orphenadrine para-Methyl Analog / Toladryl, CAS 19804-27-4
Structure of Diphenhydramine EP Impurity B / 4-Methyldiphenhydramine / Orphenadrine para-Methyl Analog / Toladryl (CAS 19804-27-4). LazyChem record. Source identity: PubChem CID 19935. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC18H23NO
InChIKeyPJUYQWIDNIAHIZ-UHFFFAOYSA-N
Ring count2
Defined stereocentres0
Unassigned stereocentres1
SMILESCC1=CC=C(C(C2=CC=CC=C2)OCCN(C)C)C=C1
InChIInChI=1S/C18H23NO/c1-15-9-11-17(12-10-15)18(20-14-13-19(2)3)16-7-5-4-6-8-16/h4-12,18H,13-14H2,1-3H3

03Stereochemistry

The published structure contains 0 defined and 1 unassigned tetrahedral stereocentre. The exact wedge-and-dash depiction is shown above.

Defined stereocentres02D structure
Unassigned stereocentres12D structure
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 2Before 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.

04Possible N-nitroso structures

A record-level structural review indicates a possible N-nitroso candidate. This is not a confirmed impurity, formation prediction or analytical finding.

Possible structure candidateUnconfirmed identity
Possible N-nitroso structural candidate related to Diphenhydramine EP Impurity B / 4-Methyldiphenhydramine / Orphenadrine para-Methyl Analog / Toladryl, CAS 19804-27-4
No CAS number, formation claim or analytical confirmation is assigned.

A structural result alone does not establish that a nitrosamine forms. A process-specific and analytical assessment is required.

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 / RCSNOT FOUND IN REVIEWED ENTRIESCAS 19804-27-4 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 19804-27-4 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Names and relationships

Associated parent compound

Diphenhydramine /Orphenadrine

View API and impurity family

Other names

  • Diphenhydramine EP Impurity B
  • 4-Methyldiphenhydramine
  • Toladryl
  • Orphenadrine para-Methyl Analog
  • p-Methyldiphenhydramine
  • Orphenadrine Related Compound F

Related records from the same parent family

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