CAS 1841-19-6|imap|Imap|Redeptin|8-[4,4-bis(4-fluorophenyl)butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one|Fluspirilenum [inn-latin]|Lopac-F-100|Fluspirileno [inn-spanish]|Fluspirilene|8-[4,4-<i>b...

基本信息

化学结构

分子式

C₂₉H₃₁F₂N₃O

分子量

475.5727464

精确质量

475.24351907

电荷

InChI

InChI=1S/C29H31F2N3O/c30-24-12-8-22(9-13-24)27(23-10-14-25(31)15-11-23)7-4-18-33-19-16-29(17-20-33)28(35)32-21-34(29)26-5-2-1-3-6-26/h1-3,5-6,8-15,27H,4,7,16-21H2,(H,32,35)

InChIKey

QOYHHIBFXOOADH-UHFFFAOYSA-N

Canonic Smiles

Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1

Isomeric Smiles

Fc1ccc(C(CCCN2CCC3(N(CNC3=O)c3ccccc3)CC2)c2ccc(F)cc2)cc1

计算属性

JChem

Acid pKa

11.987693

质子受体

质子供体

LogD (pH = 5.5)

2.4489284

LogD (pH = 7.4)

3.8700993

Log P

5.778034

摩尔折射率

135.2675

极化性

51.41223

极化表面积

35.58

可自由旋转的化学键

里宾斯基五规则

false

ALOGPS 2.1

Log P

5.18

LOG S

-5.45

溶解度

1.67e-03 g/l

数据来源

名称和标识

IUPAC传统名

imap fluspirilene 8-[4,4-bis(4-fluorophenyl)butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

别名

Fluspirilenum [inn-latin]FluspirileneFluspirileno [inn-spanish]8-[4,4-bis (p-fluorophenyl)butyl]-1-phenyl-1,3,8-triazino[4,5]decan-4-oneR6218Fluspiriline8-[4,4-Bis(4-fluorophenyl)butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-oneMcN-JR 6218R 6218RedeptinFluspirilenImapFluspirilene8-[4,4-bis(p-Fluorophenyl)butyl]-1-phenyl-1,3,8-triazino[4.5]decan-4-oneSpirodiflamin

商标名

RedeptinImapLopac-F-100

IUPAC标准名

8-[4,4-bis(4-fluorophenyl)butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

名称和标识

数据登录号

EC号

217-418-6

CAS号

1841-19-6

PubChem SID

4650820224277915160967818

PubChem CID

3396

MDL号

MFCD00055137

ATC码

N05AG01

IUPHAR配体索引

维基百科标题

Chemspider ID

CHEMBL

美国药典/FDA物质标识码

DrugBank ID

KEGG ID

数据登录号

化合物性质

理化性质

溶解度

0.01 mg/mL at 25 oC [MERCK INDEX (1996)]

ethanol: soluble

H2O: insoluble

DMSO: ≥20 mg/mL

疏水性(logP)

5.86 [HANSCH,C ET AL. (1995)]

熔点

187.5-190°C

外观

white solid

安全信息

RTECS编号

XX8750000

MSDS下载

下载链接

保存条件

Room Temperature (15-30°C)

保存温度

room temp

Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

药理学性质

法定药品分级

Rx-only

给药途径

相关基因信息

human ... DRD1(1812), DRD2(1813), DRD3(1814), DRD4(1815), DRD5(1816)

生物活性机理

Calcium channel antagonist

Dopamine antagonist

化合物性质

分子相关蛋白质

暂无数据

点击上传数据

分子图谱

暂无数据

点击上传数据

描述信息

MP Biomedicals

02153707

A dopamine antagonist.

Wikipedia

Fluspirilene

DrugBank

DB04842

Drug Groups

approved

Description

A long-acting injectable antipsychotic agent used for chronic schizophrenia.

Indication

Used for the treatment of schizophrenia.

Pharmacology

Fluspirilene is a relatively long-acting injectable depot antipsychotic drug used for schizophrenia. Fluspirilene does not differ greatly from other depot antipsychotics (fluphenazine decanoate, fluphenazine enathate, perphenazine onanthat, pipotiazine undecylenate) with respect to treatment efficacy, response or tolerability. Outcomes suggest that fluspirilene does not differ significantly from oral antipsychotics or in different weekly regimens, although much cannot be inferred because of the shortage of trials.

Affected Organisms

Humans and other mammals

External Links

• [Wikipedia]

Sigma Aldrich

F100

Biochem/physiol Actions
Dopamine receptor antagonist; antipsychotic; calcium channel blocker.

TRC

F599800

Fluspirilene is a diphenylbutylpiperidine antipsychotic drug, used for the treatment of schizophrenia.

描述信息

参考文献

PubChem文献

数据源提供

• Toenjes, K., et al.: Antimicrob. Agents Chemother., 49, 963 (1970)

• Cox, D., et al.: J. Cardiovasc. Pharmacol., 21, 595 (1970)

• Janssen, P.A.J., et al.: Arzneim.-Forsch., 20, 1689 (1970)

• ,Agarwal, V., et al.: J. Biotechnol., 136, S451 (1970)

• U.S. Pat., 1966, Janssen, 3 238 216; CA, 65, 8924d, (synth)

• Janssen, P.A.J. et al., Arzneim.-Forsch., 1970, 20, 1689, (pharmacol)

• Blessington, B., Org. Mass Spectrom., 1971, 5, 1113, (ms)

• Grantham, C.J. et al., Br. J. Pharmacol., 1994, 111, 483, (pharmacol)

• Lewis, R.J., Sax's Dangerous Properties of Industrial Materials, 8th edn., Van Nostrand Reinhold, 1992, PFU250

• Kenny, B.A. et al., Br. J. Pharmacol., 1990, 100, 211, (pharmacol)

• Martindale, The Extra Pharmacopoeia, 31st edn., Pharmaceutical Press, 1996, 713

参考文献

生物活性

PubChem BioAssay

生物活性

名称和标识

IUPAC传统名

imap fluspirilene 8-[4,4-bis(4-fluorophenyl)butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

别名

商标名

RedeptinImapLopac-F-100

IUPAC标准名

8-[4,4-bis(4-fluorophenyl)butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

数据登录号

EC号

217-418-6

CAS号

1841-19-6

PubChem SID

4650820224277915160967818

PubChem CID

3396

MDL号

MFCD00055137

ATC码

N05AG01

IUPHAR配体索引

维基百科标题

Chemspider ID

CHEMBL

美国药典/FDA物质标识码

DrugBank ID

KEGG ID

描述信息

A dopamine antagonist.

Wikipedia

Fluspirilene

DrugBank

DB04842

Drug Groups

approved

Description

A long-acting injectable antipsychotic agent used for chronic schizophrenia.

Indication

Used for the treatment of schizophrenia.

Pharmacology

Affected Organisms

Humans and other mammals

External Links

• [Wikipedia]

Sigma Aldrich

F100

Biochem/physiol Actions
Dopamine receptor antagonist; antipsychotic; calcium channel blocker.

TRC

F599800

Fluspirilene is a diphenylbutylpiperidine antipsychotic drug, used for the treatment of schizophrenia.

参考文献

PubChem文献

数据源提供

• Toenjes, K., et al.: Antimicrob. Agents Chemother., 49, 963 (1970)

• Cox, D., et al.: J. Cardiovasc. Pharmacol., 21, 595 (1970)

• Janssen, P.A.J., et al.: Arzneim.-Forsch., 20, 1689 (1970)

• ,Agarwal, V., et al.: J. Biotechnol., 136, S451 (1970)

• U.S. Pat., 1966, Janssen, 3 238 216; CA, 65, 8924d, (synth)

• Janssen, P.A.J. et al., Arzneim.-Forsch., 1970, 20, 1689, (pharmacol)

• Blessington, B., Org. Mass Spectrom., 1971, 5, 1113, (ms)

• Grantham, C.J. et al., Br. J. Pharmacol., 1994, 111, 483, (pharmacol)

• Lewis, R.J., Sax's Dangerous Properties of Industrial Materials, 8th edn., Van Nostrand Reinhold, 1992, PFU250

• Kenny, B.A. et al., Br. J. Pharmacol., 1990, 100, 211, (pharmacol)

• Martindale, The Extra Pharmacopoeia, 31st edn., Pharmaceutical Press, 1996, 713

生物活性

PubChem BioAssay

化合物性质

理化性质

溶解度

0.01 mg/mL at 25 oC [MERCK INDEX (1996)]

ethanol: soluble

H2O: insoluble

DMSO: ≥20 mg/mL

疏水性(logP)

5.86 [HANSCH,C ET AL. (1995)]

熔点

187.5-190°C

外观

white solid

安全信息

RTECS编号

XX8750000

MSDS下载

下载链接

保存条件

Room Temperature (15-30°C)

保存温度

room temp

Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

药理学性质

法定药品分级

Rx-only

给药途径

化合物信息

ID:4386