CAS 969-33-5|CAS 129-03-3|CAS 41354-29-4|cyproheptadine hydrochloride|Periactin|Cyproheptadine hydrochloride|1-methyl-4-{tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-ylidene}pip...

基本信息

化学结构

分子式

C₂₁H₂₂ClN

分子量

323.85908

精确质量

323.14407739

电荷

InChI

InChI=1S/C21H21N.ClH/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21;/h2-11H,12-15H2,1H3;1H

InChIKey

ZPMVNZLARAEGHB-UHFFFAOYSA-N

Canonic Smiles

CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1.Cl

Isomeric Smiles

C1(=C2CCN(CC2)C)c2c(C=Cc3c1cccc3)cccc2.Cl

计算属性

JChem

LogD (pH = 7.4)

3.65

LogD (pH = 5.5)

1.88

Log P

4.38

可自由旋转的化学键

质子供体

质子受体

里宾斯基五规则

true

Acid pKa

8.05

极化表面积

3.24

极化性

34.00

摩尔折射率

105.17

LOG S

-4.10

数据来源

名称和标识

IUPAC标准名

1-methyl-4-{tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-ylidene}piperidine hydrochloride 1-methyl-4-{tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,9,12,14-heptaen-2-ylidene}piperidine hydrochloride 1-methyl-4-{tricyclo[9.4.0.0³,⁸]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-ylidene}piperidine hydrochloride 1-methyl-4-{tricyclo[9.4.0.0³,⁸]pentadeca-1(11),3,5,7,9,12,14-heptaen-2-ylidene}piperidine hydrochloride 1-methyl-4-{tricyclo[9.4.0.0³,⁸]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-ylidene}piperidine hydrochloride

IUPAC传统名

cyproheptadine hydrochloride periactin hydrochloride 1-methyl-4-{tricyclo[9.4.0.0³,⁸]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-ylidene}piperidine hydrochloride 1-methyl-4-{tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-ylidene}piperidine hydrochloride

别名

PeriactinCyproheptadine hydrochloride1-Methyl-4-(5-dibenzo(a,e)cycloheptatrienylidene) piperidinehydrochloridePeriactin hydrochloride4-(5H-dibenzo[a,d][7]annulen-5-ylidene)-1-methylpiperidine hydrochloride赛庚啶盐酸盐倍半水合物Cyproheptadine hydrochloride sesquihydratePiperidine, 4-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-1-methyl-, hydrochloride, hydrate (2:3)Cyproheptadinecyproheptadine hydrochloride anhydrouscyproheptadine hydrochloride (anh.)cyproheptadine hydrochloride (anhydrous)cyproheptadine hydrochlorideanhydrous cyproheptadine hydrochloridecyproheptadine HCl

名称和标识

数据登录号

CAS号

969-33-5129-03-341354-29-4

EC号

213-535-1

PubChem CID

13770

PubChem SID

1620382032427808296079764

MDL号

SureChEMBL数据库

CHEBI ID

CompTox数据库

CHEMBL

ACToR数据库

Reaxys Registry

VSDB Database

Beilstein号

数据登录号

化合物性质

药理学性质

histamine

human ... HRH1(3269), HTR2A(3356), HTR2B(3357), HTR2C(3358)

Cyproheptadine competes with free histamine for binding at HA-receptor sites.

This antagonizes the effects of histamine on HA-receptors, leading to a reduction of the negative symptoms brought on by histamine HA-receptor binding

理化性质

215-217°C

methanol: soluble

ethanol: soluble

white to slightly yellow solid

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

S2044

Research Area: Cancer
Biological Activity:

MP Biomedicals

02190170

Hydrochloride
Crystalline
Serotonin antagonist, antihistaminic and possibly a calcium channel blocker.

Sigma Aldrich

C6022

Biochem/physiol Actions
5-HT2/5-HT1C serotonin receptor antagonist; H1 histamine receptor antagonist; antipruritic.

ChEBI

CHEBI:59695

The hydrochloride salt of cyproheptadine. Note that the drug named cyproheptadine hydrochloride generally refers to cyproheptadine hydrochloride sesquihydrate.

描述信息

参考文献

PubChem文献

数据源提供

• Negwer, M., Organic-Chemical Drugs and their Synonyms, 6th edn., Akademie-Verlag, 1987, 6064, (synonyms)

• Martindale, The Extra Pharmacopoeia, 30th edn., Pharmaceutical Press, 1993, 935

• Engelhardt, E.L. et al., J. Med. Chem., 1965, 8, 829, (synth, pharmacol)

• Aboul-Enein, H.Y. et al., Anal. Profiles Drug Subst., 1980, 9, 155, (rev)

• Fischer, L.J. et al., Drug Metab. Dispos., 1980, 8, 422, (metab)

• Lewis, R.J., Sax's Dangerous Properties of Industrial Materials, 8th edn., Van Nostrand Reinhold, 1992, PCI250; PCI500

参考文献

生物活性

PubChem BioAssay

生物活性

名称和标识

IUPAC标准名

IUPAC传统名

别名

数据登录号

CAS号

969-33-5129-03-341354-29-4

EC号

213-535-1

PubChem CID

13770

PubChem SID

1620382032427808296079764

MDL号

SureChEMBL数据库

CHEBI ID

CompTox数据库

CHEMBL

ACToR数据库

Reaxys Registry

VSDB Database

Beilstein号

描述信息

S2044

Research Area: Cancer
Biological Activity:

MP Biomedicals

02190170

Hydrochloride
Crystalline
Serotonin antagonist, antihistaminic and possibly a calcium channel blocker.

Sigma Aldrich

C6022

Biochem/physiol Actions
5-HT2/5-HT1C serotonin receptor antagonist; H1 histamine receptor antagonist; antipruritic.

ChEBI

CHEBI:59695

The hydrochloride salt of cyproheptadine. Note that the drug named cyproheptadine hydrochloride generally refers to cyproheptadine hydrochloride sesquihydrate.

参考文献

PubChem文献

数据源提供

• Negwer, M., Organic-Chemical Drugs and their Synonyms, 6th edn., Akademie-Verlag, 1987, 6064, (synonyms)

• Martindale, The Extra Pharmacopoeia, 30th edn., Pharmaceutical Press, 1993, 935

• Engelhardt, E.L. et al., J. Med. Chem., 1965, 8, 829, (synth, pharmacol)

• Aboul-Enein, H.Y. et al., Anal. Profiles Drug Subst., 1980, 9, 155, (rev)

• Fischer, L.J. et al., Drug Metab. Dispos., 1980, 8, 422, (metab)

• Lewis, R.J., Sax's Dangerous Properties of Industrial Materials, 8th edn., Van Nostrand Reinhold, 1992, PCI250; PCI500

生物活性

PubChem BioAssay

化合物性质

药理学性质

histamine

human ... HRH1(3269), HTR2A(3356), HTR2B(3357), HTR2C(3358)

Cyproheptadine competes with free histamine for binding at HA-receptor sites.

This antagonizes the effects of histamine on HA-receptors, leading to a reduction of the negative symptoms brought on by histamine HA-receptor binding

理化性质

215-217°C

methanol: soluble

ethanol: soluble

white to slightly yellow solid

化合物信息

ID:73283