Chemical identity

Fluphenazine N,N',S-Trioxide (2HCl Salt)

CAS 2732347-04-3 · C22H28Cl2F3N3O4S

01Identity

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

Lazychem IDLC-15616
PubChem CID129318394
NameFluphenazine N,N',S-Trioxide (2HCl Salt)
CAS RN2732347-04-3
Molecular formulaC22H28Cl2F3N3O4S
Molecular weight558.44 g/mol
IUPAC name2-[1,4-dioxido-4-[3-[5-oxo-2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazine-1,4-diium-1-yl]ethanol;dihydrochloride
InChIKeyOXHHSHYWSFSBMV-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 129318394
2D structure: Fluphenazine N,N',S-Trioxide (2HCl Salt), CAS 2732347-04-3
Structure of Fluphenazine N,N',S-Trioxide (2HCl Salt) (CAS 2732347-04-3). LazyChem record. Source identity: PubChem CID 129318394. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC22H28Cl2F3N3O4S
InChIKeyOXHHSHYWSFSBMV-UHFFFAOYSA-N
Ring count4
Defined stereocentres0
Unassigned stereocentres1
SMILESFC(C(C=C1N(CCC[N+]2([O-])CC[N+](CCO)([O-])CC2)C3=C4C=CC=C3)=CC=C1S4=O)(F)F.[H]Cl.[H]Cl
InChIInChI=1S/C22H26F3N3O4S.2ClH/c23-22(24,25)17-6-7-21-19(16-17)26(18-4-1-2-5-20(18)33(21)32)8-3-9-27(30)10-12-28(31,13-11-27)14-15-29;;/h1-2,4-7,16,29H,3,8-15H2;2*1H

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 2732347-04-3 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 2732347-04-3 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Fluphenazine

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