Chemical identity

1-(4-fluorophenyl)-5-phthalane carbonitrile / Citalopram Inhouse Impurity C

CAS 64169-67-1 · C15H10FNO

01Identity

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

Lazychem IDLC-01120
PubChem CID9856159
Name1-(4-fluorophenyl)-5-phthalane carbonitrile / Citalopram Inhouse Impurity C
CAS RN64169-67-1
Molecular formulaC15H10FNO
Molecular weight239.24 g/mol
IUPAC name1-(4-fluorophenyl)-5-phthalane carbonitrile
InChIKeyYXCRMKYHFFMNPT-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 9856159
2D structure: 1-(4-fluorophenyl)-5-phthalane carbonitrile / Citalopram Inhouse Impurity C, CAS 64169-67-1
Structure of 1-(4-fluorophenyl)-5-phthalane carbonitrile / Citalopram Inhouse Impurity C (CAS 64169-67-1). LazyChem record. Source identity: PubChem CID 9856159. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC15H10FNO
InChIKeyYXCRMKYHFFMNPT-UHFFFAOYSA-N
Ring count3
Defined stereocentres0
Unassigned stereocentres1
SMILESN#CC1=CC=C2C(C3=CC=C(F)C=C3)OCC2=C1
InChIInChI=1S/C15H10FNO/c16-13-4-2-11(3-5-13)15-14-6-1-10(8-17)7-12(14)9-18-15/h1-7,15H,9H2

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.

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 64169-67-1 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 64169-67-1 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Citalopram

View API and impurity family

Other names

  • Citalopram Inhouse Impurity C

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