Chemical identity

(1S,5R)-1-Phenyl-3-oxabicyclo[3.1.0]hexan-2-one / LevoMilnacipran Lactone

CAS 96847-53-9 · C11H10O2

01Identity

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

Lazychem IDLC-00136
PubChem CID10910062
Name(1S,5R)-1-Phenyl-3-oxabicyclo[3.1.0]hexan-2-one / LevoMilnacipran Lactone
CAS RN96847-53-9
Molecular formulaC11H10O2
Molecular weight174.2 g/mol
IUPAC name(1S,5R)-1-Phenyl-3-oxabicyclo[3.1.0]hexan-2-one
InChIKeyWZGFIZUMKYUMRN-GXSJLCMTSA-N

02Structure identifiers

2D structurePubChem CID 10910062
Two-dimensional chemical structure of (1S,5R)-1-Phenyl-3-oxabicyclo[3.1.0]hexan-2-one / LevoMilnacipran Lactone, CAS 96847-53-9
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, has 2 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres2
Unassigned stereocentres0
Ring count3
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC1[C@@H]2[C@]1(C(=O)OC2)C3=CC=CC=C3
InChINot listed
Formula from structureC11H10O2
Molecular weight from structure174.2 g/mol

03Stereochemistry

The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres2Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 4Before symmetry reduction

Published same-connectivity configurations

2 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 / RCSNO EXACT MATCH FOUNDCAS 96847-53-9 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 96847-53-9 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Milnacipran

View API and impurity family

Other names

  • (1S,5R)-1-Phenyl-3-oxabicyclo[3.1.0]hexan-2-one
  • LevoMilnacipran Lactone

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