Ipsapirone | CAS No. 95847-70-4

Ipsapirone

Basic Information

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CAS Number

95847-70-4

Molecular Formula

C19H23N5O3S

Molecular Weight

401.49 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

137-138°

SMILES

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C1CN(CCN1CCCCN2C(=O)C3=CC=CC=C3S2(=O)=O)C4=NC=CC=N4

InChI

InChI=1S/C19H23N5O3S/c25-18-16-6-1-2-7-17(16)28(26,27)24(18)11-4-3-10-22-12-14-23(15-13-22)19-20-8-5-9-21-19/h1-2,5-9H,3-4,10-15H2

InChIKey

TZJUVVIWVWFLCD-UHFFFAOYSA-N

LogP

1.2234999999999996

Topological Polar Surface Area

86.71000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 8

Complexity

638

Synonyms & References

English

1,2-Benzisothiazol-3(2H)-one,2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-, 1,1-dioxide
1,1-dioxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,2-benzothiazol-3-one
Ipsapirone
ABT 702 dihydrochloride
Ipsapirona
Ipsapironum
2-[4-[4-(2-PYRIMIDINYL)-1-PIPERAZINYL]BUTYL]-1,2-BENZISOTHIAZOL-3(2H)-ONE-1,1-DIOXIDE
HB1699
NS00125565
VDA84770
TVX Q 7821
CS-0016206
CHEMBL8412
CHEBI:93578
Tox21_110962
TVX-Q-7821
isapirone
BDBM50005127
CCG-220609
Ipsapirone [INN:BAN]
HMS3678N17
NCGC00025315-02
1,1-Dioxo-2-(4-(4-pyrimidin-2-yl-piperazin-1-yl)-butyl)-1,2-dihydro-1lambda*6*-benzo(d)isothiazol-3-one
DB-020290
GTPL42
AKOS000278833
BRD-K90574421-001-01-9
1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-butyl]-1,2-dihydro-1lambda*6*-benzo[d]isothiazol-3-one(Ipsapirone)
Ipsapirona [Spanish]
DTXCID2025688
SR-01000597547

MDL Number

MFCD00866976

FAQ

What is Ipsapirone (CAS: 95847-70-4)?

Ipsapirone is a benzodiazepine derivative with sedative and anxiolytic properties. It is used in preclinical studies for its potential as a pharmaceutical agent. Chemical formula: C17H14N2O2.

What are the main uses of Ipsapirone (CAS: 95847-70-4)?

Ipsapirone is primarily used in preclinical research for evaluating its sedative and anxiolytic effects. It has potential applications in developing new drugs for similar therapeutic areas.

Is Ipsapirone (CAS: 95847-70-4) safe?

Ipsapirone is safe when used under controlled conditions in preclinical studies. However, precautions should be taken to avoid direct contact with skin and eyes, and to handle it in a fume hood. Proper disposal methods should be followed.

How should Ipsapirone (CAS: 95847-70-4) be stored?

Ipsapirone should be stored at room temperature, protected from light and moisture. Store in a tightly sealed container to maintain its stability and potency.