Chemical identity

(3aR,4S,7R,7aS)-Hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione

CAS 14805-29-9 · C9H11NO2

01Identity

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

Lazychem IDLC-19349
PubChem CID10749555
Name(3aR,4S,7R,7aS)-Hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
CAS RN14805-29-9
Molecular formulaC9H11NO2
Molecular weight165.19 g/mol
IUPAC name(3aR,4S,7R,7aS)-hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
InChIKeyRIVOBMOBWMOLDJ-RNGGSSJXSA-N

02Structure identifiers

2D structurePubChem CID 10749555
Two-dimensional chemical structure of (3aR,4S,7R,7aS)-Hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione, CAS 14805-29-9
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aliphatic carbon, has 4 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres4
Unassigned stereocentres0
Ring count3
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC1C[C@H]2C[C@@H]1[C@H]3[C@@H]2C(=O)NC3=O
InChINot listed
Formula from structureC9H11NO2
Molecular weight from structure165.19 g/mol

03Stereochemistry

The published structure contains 4 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres4Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 16Before 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 / RCSNO EXACT MATCH FOUNDCAS 14805-29-9 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 14805-29-9 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

Lurasidone

View API and impurity family

Other names

  • Lurasidone Impurity 33
  • (3aR,4S,7R,7aS)-Hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
  • DTXSID10444279
  • RefChem:1050148
  • DTXCID00395100
  • 14805-29-9
  • exo-Hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
  • MFCD12964181
  • EXO-2,3-NORBORNANEDICARBOXIMIDE
  • 4,7-METHANO-1H-ISOINDOLE-1,3(2H)-DIONE, HEXAHYDRO-, (3AR,4S,7R,7AS)-REL-
  • KQP7HXS2R5
  • (3AR,4S,7R,7AS)4,7-METHANO-1H-ISOINDOLE-1,3(2H)-DIONE

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