Chemical identity

(1R,2R)-1,2-Bis((4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)methyl)cyclohexane

CAS 2518442-98-1 · C30H38N6S2

01Identity

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

Lazychem IDLC-19337
PubChem CID125411781
Name(1R,2R)-1,2-Bis((4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)methyl)cyclohexane
CAS RN2518442-98-1
Molecular formulaC30H38N6S2
Molecular weight546.80 g/mol
IUPAC name(1R,2R)-1,2-Bis((4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)methyl)cyclohexane
InChIKeyFKAIPLAKKBFOPG-ZEQRLZLVSA-N

02Structure identifiers

2D structurePubChem CID 125411781
Two-dimensional chemical structure of (1R,2R)-1,2-Bis((4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)methyl)cyclohexane, CAS 2518442-98-1
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 2 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres2
Unassigned stereocentres0
Ring count7
Secondary amines0
Tertiary amines4
N-methyl amine sites0
SMILESC1CC[C@H]([C@@H](C1)CN2CCN(CC2)C3=NSC4=CC=CC=C43)CN5CCN(CC5)C6=NSC7=CC=CC=C76
InChINot listed
Formula from structureC30H38N6S2
Molecular weight from structure546.80 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

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.

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 2518442-98-1 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 2518442-98-1 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 3

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