Chemical identity

Levocetrizine Impurity B

CAS 113740-61-7 · C19H21ClN2O2

01Identity

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

Lazychem IDLC-18484
PubChem CID25063264
NameLevocetrizine Impurity B
CAS RN113740-61-7
Molecular formulaC19H21ClN2O2
Molecular weight344.84 g/mol
IUPAC nameDe(carboxymethoxy) Cetirizine Acetic Acid
InChIKeyNBQBQRKLQXVPIS-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 25063264
2D structure: Levocetrizine Impurity B, CAS 113740-61-7
Structure of Levocetrizine Impurity B (CAS 113740-61-7). LazyChem record. Source identity: PubChem CID 25063264. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC19H21ClN2O2
InChIKeyNBQBQRKLQXVPIS-UHFFFAOYSA-N
Ring count3
Defined stereocentres0
Unassigned stereocentres1
SMILESC1CN(CCN1CC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChIInChI=1S/C19H21ClN2O2/c20-17-8-6-16(7-9-17)19(15-4-2-1-3-5-15)22-12-10-21(11-13-22)14-18(23)24/h1-9,19H,10-14H2,(H,23,24)

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

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.

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 113740-61-7 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 113740-61-7 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Levocetrizine; Cetirizine

View API and impurity family

Other names

  • 4-[(4-Chlorophenyl)phenylmethyl]-1-piperazineacetic acid
  • Cetirizine acetic acid
  • DE(Carboxymethoxy) cetirizine acetic acid
  • 2-(4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)acetic acid
  • (RS)-2-(4-((4-CHLOROPHENYL)PHENYLMETHYL)PIPERAZIN-1-YL)ACETIC ACID

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