Chemical identity

S,S-Endo-lurasidone HCl

CAS 1318074-27-9 · C28H36N4O2S

01Identity

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

Lazychem IDLC-19357
PubChem CID118990154
NameS,S-Endo-lurasidone HCl
CAS RN1318074-27-9
Molecular formulaC28H36N4O2S
Molecular weight492.68 g/mol
IUPAC name(3aR,4R,7S,7aS)-2-(((1S,2S)-2-((4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)methyl)cyclohexyl)methyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
InChIKeyPQXKDMSYBGKCJA-NGQQDWMDSA-N

02Structure identifiers

2D structurePubChem CID 118990154
Two-dimensional chemical structure of S,S-Endo-lurasidone HCl, CAS 1318074-27-9
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 7 rings, includes aromatic atoms, includes aliphatic carbon, has 6 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres6
Unassigned stereocentres0
Ring count7
Secondary amines0
Tertiary amines2
N-methyl amine sites0
SMILESC1CC[C@@H]([C@H](C1)CN2CCN(CC2)C3=NSC4=CC=CC=C43)CN5C(=O)[C@@H]6[C@@H]7CC[C@@H](C7)[C@@H]6C5=O
InChINot listed
Formula from structureC28H36N4O2S
Molecular weight from structure492.68 g/mol

03Stereochemistry

The published structure contains 6 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres6Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 64Before symmetry reduction

Published same-connectivity configurations

8 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 1318074-27-9 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1318074-27-9 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 58
  • (3AR,4R,7S,7aS)-2-(((1S,2S)-2-((4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)methyl)cyclohexyl)methyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
  • 1318074-27-9
  • (1S,2S,6R,7R)-4-[[(1S,2S)-2-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl]cyclohexyl]methyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
  • S,S-Endo-lurasidone HCl
  • Lurasidone Impurity C
  • 7PK9A5X6JQ
  • (3aR,4R,7S,7aS)-2-[[(1S,2S)-2-[[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl]methyl]cyclohexyl]methyl]hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione
  • 194861-74-0
  • 2-[[(1S,2S)-2-[[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl]methyl]cyclohexyl]methyl]hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione, (3aR,4R,7S,7aS)-
  • 4,7-Methano-1H-isoindole-1,3(2H)-dione, 2-[[(1S,2S)-2-[[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]methyl]cyclohexyl]methyl]hexahydro-, (3aR,4R,7S,7aS)-
  • rel-(3aR,4R,7S,7aS)-2-[[(1R,2R)-2-[[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl]methyl]cyclohexyl]methyl]hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione (ACI)

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