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
2D structure: Dibaclofen Urea Impurity, CAS 2726264-10-2
Structure of Dibaclofen Urea Impurity (CAS 2726264-10-2). LazyChem record. Source identity: PubChem CID 168429500. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC21H22Cl2N2O5
InChIKeyPDVDNZQYQUPGPJ-UHFFFAOYSA-N
Ring count2
Defined stereocentres0
Unassigned stereocentres2
SMILESO=C(O)CC(C1=CC=C(Cl)C=C1)CNC(NCC(C2=CC=C(Cl)C=C2)CC(O)=O)=O
InChIInChI=1S/C21H22Cl2N2O5/c22-17-5-1-13(2-6-17)15(9-19(26)27)11-24-21(30)25-12-16(10-20(28)29)14-3-7-18(23)8-4-14/h1-8,15-16H,9-12H2,(H,26,27)(H,28,29)(H2,24,25,30)

03Stereochemistry

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

Defined stereocentres02D structure
Unassigned stereocentres22D structure
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 / RCSNOT FOUND IN REVIEWED ENTRIESCAS 2726264-10-2 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 2726264-10-2 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

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