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Perospirone

CAT: 0127-BUP10355-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP10355-03Size:50 mg
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CAS Number
150915-41-6
Synonyms
Lullan
Purity
=98%
Smiles
[H][C@@]12CCCC[C@]1([H])C(=O)N(CCCCN1CCN(CC1)c1nsc3ccccc13)C2=O

Chemical Information

Perospirone

(3aR,7aS)-2-[4-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]butyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione is a N-arylpiperazine.

CAS Number150915-41-6
PubChem CID115368
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
Molecular FormulaC23H30N4O2S
Molecular Weight426.6
XLogP3.9
Topological Polar Surface Area85
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity615
SMILES
C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CCCCN3CCN(CC3)C4=NSC5=CC=CC=C54
InChI
InChI=1S/C23H30N4O2S/c28-22-17-7-1-2-8-18(17)23(29)27(22)12-6-5-11-25-13-15-26(16-14-25)21-19-9-3-4-10-20(19)30-24-21/h3-4,9-10,17-18H,1-2,5-8,11-16H2/t17-,18+
InChIKey
FBVFZWUMDDXLLG-HDICACEKSA-N
Chemical Structure
2D Structure
2D structure of Perospirone
CAS: 150915-41-6
CID: 115368
Formula: C23H30N4O2S
MW: 426.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight426.6
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass426.20894739
Monoisotopic Mass426.20894739
Topological Polar Surface Area85 Ų
Heavy Atom Count30
Formal Charge0
Complexity615
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA5009-10Perospirone
C6489-25Perospirone hydrochloride
HY-B0731ASPerospirone-d8
328409Perospirone HCl
HY-B0731-01Perospirone (hydrochloride)

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