CAS 21535-47-7|5-methyl-2,5-diazatetracyclo[13.4.0.0^{2,7}.0^{8,13}]nonadeca-1(15),8(13),9,11,16,18-hexaene hydrochloride|Tolvon|Mianserin hydrochloride|Norval|Bolvidon|5-methyl-2,5-diazatetracyclo[...

基本信息

化学结构

分子式

C₁₈H₂₁ClN₂

分子量

300.82574

精确质量

300.13932636

电荷

InChI

InChI=1S/C18H20N2.ClH/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19;/h2-9,18H,10-13H2,1H3;1H

InChIKey

YNPFMWCWRVTGKJ-UHFFFAOYSA-N

Canonic Smiles

CN1CCN2C(C1)c1ccccc1Cc1c2cccc1.Cl

Isomeric Smiles

c12N3C(c4c(Cc1cccc2)cccc4)CN(CC3)C.Cl

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

2.3987954

LogD (pH = 7.4)

3.7070787

Log P

3.8311977

摩尔折射率

84.4987

极化性

32.159184

极化表面积

6.48

可自由旋转的化学键

里宾斯基五规则

true

数据来源

名称和标识

IUPAC传统名

5-methyl-2,5-diazatetracyclo[13.4.0.0^{2,7}.0^{8,13}]nonadeca-1(15),8(13),9,11,16,18-hexaene hydrochloride mianserin hydrochloride 5-methyl-2,5-diazatetracyclo[13.4.0.0²,⁷.0⁸,¹³]nonadeca-1(15),8(13),9,11,16,18-hexaene hydrochloride

别名

TolvonMianserin hydrochlorideNorvalBolvidon米赛林盐酸盐Mianserin hydrochloride1,2,3,4,10,14b-六氢-2-甲基-二苯并[c,f]吡嗪并[1,2-a]氮杂卓盐酸盐1,2,3,4,10,14b-Hexahydro-2-methyl-dibenzo[c,f]pyrazino[1,2-a]azepine hydrochlorideMianserine HydrochlorideAthymilLantanonMIANSERINNSC 292267Tolvin1,2,3,4,10,14b-Hexahydro-2-methyldibenzo[c,f]pyrazino[1,2-a]azepine Hydrochloride1,2,3,4,10,14beta-Hexahydro-2-methyldibenzo[c,f]pyryzino[1,2-a]azepine hydrochloride

IUPAC标准名

5-methyl-2,5-diazatetracyclo[13.4.0.0^{2,7}.0^{8,13}]nonadeca-1(15),8(13),9,11,16,18-hexaene hydrochloride 5-methyl-2,5-diazatetracyclo[13.4.0.0²,⁷.0⁸,¹³]nonadeca-1(19),8,10,12,15,17-hexaene hydrochloride 5-methyl-2,5-diazatetracyclo[13.4.0.0^{2,7}.0^{8,13}]nonadeca-1(15),8,10,12,16,18-hexaene hydrochloride 5-methyl-2,5-diazatetracyclo[13.4.0.0²,⁷.0⁸,¹³]nonadeca-1(15),8(13),9,11,16,18-hexaene hydrochloride

名称和标识

数据登录号

CAS号

21535-47-7

EC号

244-426-7

MDL号

MFCD00055072

PubChem SID

2427812524899455162037575

PubChem CID

68551

数据登录号

化合物性质

产品相关信息

成盐信息

Hydrochloride

质检报告

下载链接

级别

analytical standard, for drug analysis

Empirical Formula (Hill Notation)

C18H20N2 · HCl

安全信息

-20°C

2-8°C

-20°C Freezer

S:25-26-36/37/39

R:22-36/37/38

药理学性质

human ... ADRA2A(150), ADRA2B(151), ADRA2C(152), HRH1(3269), HTR2A(3356), HTR2B(3357), HTR2C(3358)

化合物性质

分子相关蛋白质

暂无数据

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分子图谱

暂无数据

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描述信息

Selleck Chemicals

S1382

Research Area: Neurological Disease
Biological Activity:
Mianserin is a psychoactive drug of the tetracyclic antidepressant (TeCA) chemical class which is classified as a noradrenergic and specific serotonergic antidepressant (NaSSA) and has antidepressant, anxiolytic, hypnotic, antiemetic, orexigenic, and antihistamine effects. [1]

MP Biomedicals

02153619

Hydrochloride
Serotonin antagonist

Sigma Aldrich

M2525

Biochem/physiol Actions
Antidepressant; antagonist/inverse agonist at 5-HT2 serotonin receptors; also blocks the H1 histamine receptor and the α2 adrenoceptor.
Preparation Note
Solutions may be stored for several days at 4°C.

S100

Biochem/physiol Actions
Antidepressant; antagonist/inverse agonist at 5-HT2 serotonin receptors; also blocks the H1 histamine receptor and the α2 adrenoceptor.

TRC

M341500

Serotonin receptor antagonist. Antidepressant.

描述信息

参考文献

PubChem文献

数据源提供

• http://en.wikipedia.org/wiki/Mianserin

• Brogden, R.N., et al.: Drugs, 16, 273 (1971)

• Saxena, et al.: Eur. J. Pharmacol., 13, 295 (1971)

• Alexander, B.S., et al.: J. Pharm. Pharmacol., 39, 664 (1987)

参考文献

生物活性

PubChem BioAssay

生物活性

名称和标识

IUPAC传统名

别名

IUPAC标准名

数据登录号

CAS号

21535-47-7

EC号

244-426-7

MDL号

MFCD00055072

PubChem SID

2427812524899455162037575

PubChem CID

描述信息

S1382

Hydrochloride
Serotonin antagonist

Sigma Aldrich

M2525

S100

Biochem/physiol Actions
Antidepressant; antagonist/inverse agonist at 5-HT2 serotonin receptors; also blocks the H1 histamine receptor and the α2 adrenoceptor.

TRC

M341500

Serotonin receptor antagonist. Antidepressant.

参考文献

PubChem文献

数据源提供

• http://en.wikipedia.org/wiki/Mianserin

• Brogden, R.N., et al.: Drugs, 16, 273 (1971)

• Saxena, et al.: Eur. J. Pharmacol., 13, 295 (1971)

• Alexander, B.S., et al.: J. Pharm. Pharmacol., 39, 664 (1987)

生物活性

PubChem BioAssay

化合物性质

产品相关信息

成盐信息

Hydrochloride

质检报告

下载链接

级别

analytical standard, for drug analysis

Empirical Formula (Hill Notation)

C18H20N2 · HCl

安全信息

-20°C

2-8°C

-20°C Freezer

S:25-26-36/37/39

R:22-36/37/38

药理学性质

human ... ADRA2A(150), ADRA2B(151), ADRA2C(152), HRH1(3269), HTR2A(3356), HTR2B(3357), HTR2C(3358)

化合物信息

ID:72650