Chemical identity

Duloxetine Hydroxy Impurity

CAS 132335-44-5 · C9H15NOS

01Identity

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

Lazychem IDLC-13612
PubChem CID9964277
NameDuloxetine Hydroxy Impurity
CAS RN132335-44-5
Molecular formulaC9H15NOS
Molecular weight185.29 g/mol
IUPAC name(S)-1-β-Hydroxy-1-(2-thienyl)-3-dimethylaminopropane
InChIKeyXWCNSHMHUZCRLN-QMMMGPOBSA-N

02Structure identifiers

2D structurePubChem CID 9964277
2D structure: Duloxetine Hydroxy Impurity, CAS 132335-44-5
Structure of Duloxetine Hydroxy Impurity (CAS 132335-44-5). LazyChem record. Source identity: PubChem CID 9964277. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC9H15NOS
InChIKeyXWCNSHMHUZCRLN-QMMMGPOBSA-N
Ring count1
Defined stereocentres1
Unassigned stereocentres0
SMILESCN(C)CC[C@@H](C1=CC=CS1)O
InChIInChI=1S/C9H15NOS/c1-10(2)6-5-8(11)9-4-3-7-12-9/h3-4,7-8,11H,5-6H2,1-2H3/t8-/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

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.

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 Duloxetine Hydroxy Impurity, CAS 132335-44-5
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 132335-44-5 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 132335-44-5 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

  • Duloxetine Dimethylaminopropanol Impurity
  • (1S)-3-(dimethylamino)-1-(thiophen-2-yl)propan-1-ol
  • (S)-3-(Dimethylamino)-1-(2-thienyl)-1-propanol

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