Chemical identity

Azelastine Related Compound F / Azelastine N-Oxide (Mixture of Diastereomers)

CAS 640279-88-5 · C22H24ClN3O2

01Identity

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

Lazychem IDLC-07376
PubChem CID71313553
NameAzelastine Related Compound F / Azelastine N-Oxide (Mixture of Diastereomers)
CAS RN640279-88-5
Molecular formulaC22H24ClN3O2
Molecular weight397.9 g/mol
IUPAC name4-[(4-Chlorophenyl)methyl]-2-(hexahydro-1-methyl-1-oxido-1H-azepin-4-yl)-1(2H)-phthalazinone
InChIKeyQFWLGALGCDUDAP-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 71313553
2D structure: Azelastine Related Compound F / Azelastine N-Oxide (Mixture of Diastereomers), CAS 640279-88-5
Structure of Azelastine Related Compound F / Azelastine N-Oxide (Mixture of Diastereomers) (CAS 640279-88-5). LazyChem record. Source identity: PubChem CID 71313553. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC22H24ClN3O2
InChIKeyQFWLGALGCDUDAP-UHFFFAOYSA-N
Ring count4
Defined stereocentres0
Unassigned stereocentres2
SMILESO=C1N(C2CC[N+]([O-])(C)CCC2)N=C(CC3=CC=C(Cl)C=C3)C4=C1C=CC=C4
InChIInChI=1S/C22H24ClN3O2/c1-26(28)13-4-5-18(12-14-26)25-22(27)20-7-3-2-6-19(20)21(24-25)15-16-8-10-17(23)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3

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

3 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 640279-88-5 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 640279-88-5 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Azelastine

View API and impurity family

Other names

  • Azelastine N-Oxide (Mixture of Diastereomers)
  • 4-(p-Chlorobenzyl)-2-(hexahydro-1-methyl-1H-azepin-4-yl)-1-(2H)-phthalazinone
  • Azelastine Related Compound F

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