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Ipsapirone

Ipsapirone structure

CAS No:
95847-70-4
Formula:
C19H23N5O3S
Chemical Name:
Ipsapirone
Synonyms:
1,2-Benzisothiazol-3(2H)-one,2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-,1,1-dioxide;Ipsapirone
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

1,1-dioxo-2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-1,2-benzothiazol-3-one is a N-arylpiperazine.

Ipsapirone Basic Attributes

Molecular Weight：

401.48300

Exact Mass：

401.48

UNII：

6J9B11MN0K

DSSTox ID：

DTXSID4045688

Characteristics

PSA：

95.09000

XLogP3：

2.24510

Density：

1.345g/cm3

Melting Point：

137-138 °C

Boiling Point：

629.8ºC at 760mmHg

Flash Point：

334.7ºC

Refractive Index：

1.622

Drug Information

MeSH：

Agents that alleviate ANXIETY, tension, and ANXIETY DISORDERS, promote sedation, and have a calming effect without affecting clarity of consciousness or neurologic conditions. ADRENERGIC BETA-ANTAGONISTS are commonly used in the symptomatic treatment of anxiety but are not included here. (See all compounds classified as Anti-Anxiety Agents.)|Endogenous compounds and drugs that bind to and activate SEROTONIN RECEPTORS. Many serotonin receptor agonists are used as ANTIDEPRESSANTS; ANXIOLYTICS; and in the treatment of MIGRAINE DISORDERS. (See all compounds classified as Serotonin Receptor Agonists.)

MeSH Entry Terms：

2-(4-(4-(2-pyrimidinyl)-1-piperzinyl)butyl)-1,2-benzisothiazol-3-(2H)-one-1,1-dioxide HCl

Computed Properties

Molecular Weight:401.5
XLogP3:1.5
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:401.15216079
Monoisotopic Mass:401.15216079
Topological Polar Surface Area:95.1
Heavy Atom Count:28
Complexity:638
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Ipsapirone

CAS No.: 95847-70-4

Grade: Chemical Grade

Content: 95%

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