Chemical identity

Dibaclofen Urea Impurity

CAS 2726264-10-2 · C21H22Cl2N2O5

01Identity

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

Lazychem IDLC-12715
PubChem CID168429500
NameDibaclofen Urea Impurity
CAS RN2726264-10-2
Molecular formulaC21H22Cl2N2O5
Molecular weight453.31 g/mol
IUPAC name4-({[3-Carboxy-2-(4-chlorophenyl)propyl]carbamoyl}amino)-3-(4-chlorophenyl)butanoic acid
InChIKeyPDVDNZQYQUPGPJ-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 168429500
Two-dimensional chemical structure of Dibaclofen Urea Impurity, CAS 2726264-10-2
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres2
Ring count2
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESO=C(O)CC(C1=CC=C(Cl)C=C1)CNC(NCC(C2=CC=C(Cl)C=C2)CC(O)=O)=O
InChINot listed
Formula from structureC21H22Cl2N2O5
Molecular weight from structure453.31 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 2726264-10-2 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 2726264-10-2 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

Baclofen

View API and impurity family

Other names

No synonyms are listed.

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