Chemical identity

Adapalene EP Impurity B / Adapalene 3-Hydroxy Impurity

CAS 1346599-76-5 · C28H28O4

01Identity

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

Lazychem IDLC-05017
PubChem CID71587982
NameAdapalene EP Impurity B / Adapalene 3-Hydroxy Impurity
CAS RN1346599-76-5
Molecular formulaC28H28O4
Molecular weight428.52 g/mol
IUPAC name6-[3-(3-Hydroxytricyclo[3.3.1.13,7]dec-1-yl)-4-methoxyphenyl]-2-naphthalenecarboxylic Acid
InChIKeyZVFMDETWRVTMJF-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 71587982
Two-dimensional chemical structure of Adapalene EP Impurity B / Adapalene 3-Hydroxy Impurity, CAS 1346599-76-5
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 7 rings, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres2
Ring count7
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCOC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)(C5)O
InChINot listed
Formula from structureC28H28O4
Molecular weight from structure428.52 g/mol

03Stereochemistry

The published structure contains 0 defined and 2 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned
Unassigned centres2Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 4Before 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 1346599-76-5 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1346599-76-5 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

Adapalene

View API and impurity family

Other names

  • Adapalene EP Impurity B
  • Hydroxy Adapalene
  • 6-[3-(3-hydroxy-1-adamantyl)-4-methoxyphenyl]naphthalene-2-carboxylic acid
  • 1346599-76-5
  • 6-(3-(3-Hydroxytricyclo(3.3.1.13,7)dec-1-yl)-4-methoxyphenyl)naphthalene-2-carboxylic acid
  • 6-[3-(3-Hydroxytricyclo[3.3.1.13,7]dec-1-yl)-4-methoxyphenyl]-2-naphthalenecarboxylic Acid
  • 6482CJV0PZ
  • 6-(3-(3-hydroxyadamantan-1-yl)-4-methoxyphenyl)-2-naphthoic acid
  • Adapalene impurity B [EP]
  • UNII-6482CJV0PZ
  • MFCD28964029
  • HYDROXYADAPALENE [USP IMPURITY]

Related records from the same parent family

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