Chemical identity

5-Hydroxy-6-methoxy Duloxetine Sulfate

CAS 732983-57-2 · C19H21NO6S2

01Identity

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

Lazychem IDLC-03509
PubChem CID44344092
Name5-Hydroxy-6-methoxy Duloxetine Sulfate
CAS RN732983-57-2
Molecular formulaC19H21NO6S2
Molecular weight423.51 g/mol
IUPAC name(S)-2-methoxy-5-(3-(methylamino)-1-(thiophen-2-yl)propoxy)naphthalen-1-yl hydrogen sulfate
InChIKeyXYZBSFYKOKLCKI-INIZCTEOSA-N

02Structure identifiers

2D structurePubChem CID 44344092
2D structure: 5-Hydroxy-6-methoxy Duloxetine Sulfate, CAS 732983-57-2
Structure of 5-Hydroxy-6-methoxy Duloxetine Sulfate (CAS 732983-57-2). LazyChem record. Source identity: PubChem CID 44344092. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC19H21NO6S2
InChIKeyXYZBSFYKOKLCKI-INIZCTEOSA-N
Ring count3
Defined stereocentres1
Unassigned stereocentres0
SMILESCNCC[C@@H](C1=CC=CS1)OC2=CC=CC3=C2C=CC(=C3OS(=O)(=O)O)OC
InChIInChI=1S/C19H21NO6S2/c1-20-11-10-16(18-7-4-12-27-18)25-15-6-3-5-14-13(15)8-9-17(24-2)19(14)26-28(21,22)23/h3-9,12,16,20H,10-11H2,1-2H3,(H,21,22,23)/t16-/m0/s1

03Stereochemistry

The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge-and-dash depiction is shown above.

Defined stereocentres12D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact 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.

04Possible N-nitroso structures

A record-level structural review indicates a possible N-nitroso candidate. This is not a confirmed impurity, formation prediction or analytical finding.

Possible structure candidateUnconfirmed identity
Possible N-nitroso structural candidate related to 5-Hydroxy-6-methoxy Duloxetine Sulfate, CAS 732983-57-2
No CAS number, formation claim or analytical confirmation is assigned.

A structural result alone does not establish that a nitrosamine forms. A process-specific and analytical assessment is required.

05India 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 732983-57-2 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 732983-57-2 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Names and relationships

Associated parent compound

Duloxetine

View API and impurity family

Other names

  • CHEBI:233887
  • sodium
  • [2-methoxy-5-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]naphthalen-1-yl] sulate

Related records from the same parent family

07Documented 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.

08Sources