Ipsapirone
Grundinformationen
- CAS
95847-70-4- Standard-SMILES
O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(c2ncccn2)CC1- InChIKey
TZJUVVIWVWFLCD-UHFFFAOYSA-N- Summenformel
- C19H23N5O3S
- Durchschnittliche Molmasse
- 401,5 g/mol
- Monoisotopische Masse
- 401,1521606
Überblick
1,1-dioxo-2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-1,2-benzothiazol-3-one is a N-arylpiperazine.
Namen und Bezeichner
- Bevorzugter Name
- Ipsapirone
- IUPAC
- 1,1-dioxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,2-benzothiazol-3-one
- Englischer Name
- Ipsapirone
- Summenformel
- C19H23N5O3S
- Molmasse
- 401.48
Namen und Synonyme
IPSAPIRONE95847-70-4IpsapironaIpsapironum1,1-dioxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,2-benzothiazol-3-oneDTXSID40456886J9B11MN0KDTXCID2025688TVX-Q-78211,2-Benzisothiazol-3(2H)-one, 2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-, 1,1-dioxideisapirone1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-butyl]-1,2-dihydro-1lambda*6*-benzo[d]isothiazol-3-one
Weitere Namen anzeigen
Ipsapirone, 10 mM in DMSOBenzeneethanamine,5-chloro-α-methyl-1,2-benzisothiazol-3(2h)-one,2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-,1,1,2-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-one1,1-Dioxo-2-(4-(4-pyrimidin-2-yl-piperazin-1-yl)-butyl)-1,2-dihydro-1lambda*6*-benzo(d)isothiazol-3-oneRefChem:1486732-(4-(4-(Pyrimidin-2-yl)piperazin-1-yl)butyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide2-[4-[4-(2-PYRIMIDINYL)-1-PIPERAZINYL]BUTYL]-1,2-BENZISOTHIAZOL-3(2H)-ONE-1,1-DIOXIDETVX Q 7821CHEMBL8412HMS3268M06
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,5
- Polarare Oberfläche (TPSA)
- 95,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 28
- Formalladung
- 0
- Komplexität
- 638
Physikochemische Eigenschaften
- Schmelzpunkt
- 137 · 137-138°
- Siedepunkt
- 629.8 · 629.8±65.0 °C(Predicted)
- Dichte
- 1.345 · 1.345±0.06 g/cm3(Predicted)
- storage temp.
- Store at RT
- Löslichkeit
- 10 mM · Soluble to 10 mM in DMSO
- Aggregatzustand
- Powder
- pka
- 7.69 · 7.69±0.10(Predicted)
- Farbe
- White to off-white
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
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.
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.
Anwendungen
VerwendenAnti-anxiety agent .
Anbieter31 Anbieter
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海微佳禾生物科技有限公司17502176150; 17502176150 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
上海喀露蓝科技有限公司18149758185 18149758185 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
Zugehörige Reaktionen
2
Notizen zur Verbindung
Wird geladen…