API and parent drug

Perospirone

CAS 150915-41-6 · C23H30N4O2S · 6 related records

01API identity and structure

2D structurePubChem CID 115368
2D structure: Perospirone, CAS 150915-41-6
Structure of Perospirone (CAS 150915-41-6). LazyChem record. Source identity: PubChem CID 115368. Confirm the identifiers before analytical use.Download structure image
API / medicine namePerospirone
CAS RN150915-41-6
PubChem CID115368
Molecular formulaC23H30N4O2S
Molecular weight426.6 g/mol
IUPAC name(3aR,7aS)-2-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
Defined stereocentres2
Unassigned stereocentres0
SMILESC1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CCCCN3CCN(CC3)C4=NSC5=CC=CC=C54
InChINot listed
InChIKeyFBVFZWUMDDXLLG-HDICACEKSA-N

02Stereochemistry

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

Defined stereocentres22D structure
Unassigned stereocentres02D structure
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.

03Structural nitrosamine screen

Record-level resultNo candidate is published

No record-level structural candidate is currently published for this identity.

This result does not predict manufacturing conditions, formation, analytical findings or absence of risk. A process-specific assessment is required.

04India status for this compound

The result below applies only to this exact compound identity and CAS number.

NDPS / RCSNOT FOUND IN REVIEWED ENTRIESNo exact reviewed identity entry was found. Generic, class, analogue, salt and isomer provisions were not evaluated. Confirm the current official schedule before a regulatory decision.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 150915-41-6 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Sources