Chemical identity

Ezetimibe Desfluoro Chloro Impurity

CAS 1700622-08-7 · C24H21ClFNO3

01Identity

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

Lazychem IDLC-14916
PubChem CID122218675
NameEzetimibe Desfluoro Chloro Impurity
CAS RN1700622-08-7
Molecular formulaC24H21ClFNO3
Molecular weight425.9 g/mol
IUPAC name(3R,4S)-1-(4-chlorophenyl)-3-((S)-3-(4-fluorophenyl)-3-hydroxypropyl)-4-(4-hydroxyphenyl)azetidin-2-one
InChIKeyNTYXJALWXKWNJK-XPWALMASSA-N

02Structure identifiers

2D structurePubChem CID 122218675
2D structure: Ezetimibe Desfluoro Chloro Impurity, CAS 1700622-08-7
Structure of Ezetimibe Desfluoro Chloro Impurity (CAS 1700622-08-7). LazyChem record. Source identity: PubChem CID 122218675. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC24H21ClFNO3
InChIKeyNTYXJALWXKWNJK-XPWALMASSA-N
Ring count4
Defined stereocentres3
Unassigned stereocentres0
SMILESC1=CC(=CC=C1[C@@H]2[C@H](C(=O)N2C3=CC=C(C=C3)Cl)CC[C@@H](C4=CC=C(C=C4)F)O)O
InChIInChI=1S/C24H21ClFNO3/c25-17-5-9-19(10-6-17)27-23(16-3-11-20(28)12-4-16)21(24(27)30)13-14-22(29)15-1-7-18(26)8-2-15/h1-12,21-23,28-29H,13-14H2/t21-,22+,23-/m1/s1

03Stereochemistry

The published structure contains 3 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres32D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 8Before 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 1700622-08-7 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 1700622-08-7 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Ezetimibe

View API and impurity family

Other names

  • Ezetimibe p-Chloro Aniline Analog

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