CAS 50-13-5|ethyl 1-methyl-4-phenylpiperidine-4-carboxylate hydrochloride|哌替啶盐酸盐|meperidine hydrochloride|Meperidine hydrochloride|Pethidine hydrochloride|1-Methyl-4-phenylpiperidine-4-carbox...

基本信息

化学结构

分子式

C₁₅H₂₂ClNO₂

分子量

283.79368

精确质量

283.13390663

电荷

InChI

InChI=1S/C15H21NO2.ClH/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13;/h4-8H,3,9-12H2,1-2H3;1H

InChIKey

WCNLCIJMFAJCPX-UHFFFAOYSA-N

Canonic Smiles

CCOC(=O)C1(CCN(CC1)C)c1ccccc1.Cl

Isomeric Smiles

CCOC(=O)C1(CCN(CC1)C)c1ccccc1.Cl

计算属性

JChem

LogD (pH = 7.4)

1.63

LogD (pH = 5.5)

-0.15

Log P

2.46

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

8.16

极化表面积

29.54

极化性

28.22

摩尔折射率

72.48

LOG S

-1.31

数据来源

产品目录

学术数据

数据来源

名称和标识

IUPAC标准名

ethyl 1-methyl-4-phenylpiperidine-4-carboxylate hydrochloride

别名

哌替啶盐酸盐Meperidine hydrochloridePethidine hydrochloride1-Methyl-4-phenylpiperidine-4-carboxylic acid ethyl ester hydrochlorideDispadolDolsinAlgilDolestineDolarganDolaren1-Methyl-4-phenyl-4-piperidinecarboxylic Acid Ethyl Ester HydrochlorideDolcontralAlodanMialginMeperidine HydrochlorideCentralginAntiduol(+/-)-Pethidine HydrochlorideDolinMefedinaDolosalDemerol HydrochlorideDolantinLidol1-Methyl-4-phenyl-isonipecotic Acid Ethyl Ester HydrochlorideEthyl 1-Methyl-4-phenylpiperidine-4-carboxylate HydrochlorideDolantal1-methyl-4-phenylisonipecotic acid ethyl ester hydrochloridepethidine hydrochloridesauteralgylpethidine chloridemeperidine hydrochloridepethidine hydrochloridemeperidine HClisonipecaine hydrochloride1-methyl-4-carbethoxy-4-phenylpiperidine hydrochloride1-methyl-4-phenyl-4-carboethoxypiperidine hydrochlorideN-methyl-4-phenyl-4-carbethoxypiperidine hydrochloride4-(ethoxycarbonyl)-1-methyl-4-phenylpiperidinium chlorideethyl 1-methyl-4-phenylpiperidyl-4-carboxylate hydrochlorideethyl 1-methyl-4-phenylisonipecotate hydrochloridepethidine HClethyl-1-methyl-4-phenylisonipecotate hydrochloride

IUPAC传统名

meperidine hydrochloride

商标名

MeperitabDispadolDolarganDolopethinDoloblokPetantinPetantin hydrochlorideMephedinePetidinDolinMeperdolDemerol hydrochlorideDolantinDoloneurineDolantinaOpystanDolarenDolcontralCentralginLydolPiridosalMeperidinaAlodanDemeOperidinePetholanClopedinAntidurolChlorbycyclenSpasmodolinAlgilDolestineLidolSpasmedalDolantalDolenalMialginEndolatMepadinChlorbicyclenePetiselG-PethidinePantalgineAntiduolCluyerPetidin DakDemerolDolsinDolenolDolosal

名称和标识

数据登录号

EC号

200-013-3

CAS号

50-13-5

PubChem SID

24896799162226313332875701

MDL号

MFCD00058210

PubChem CID

5750

PubMed文献链接

15862689236658833025641727696551215389992430440421779290

KEGG DRUG Database

D01383

SureChEMBL数据库

SCHEMBL41046

ACToR数据库

55989-09-850-13-52793-00-2

CHEMBL

CHEMBL1701

CHEBI ID

CHEBI:31984

BRENDA数据库

7.1.1.2

数据登录号

化合物性质

产品相关信息

下载链接

化合物性质

分子相关蛋白质

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分子图谱

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描述信息

Sigma Aldrich

M3142

Biochem/physiol Actions
Phenylpiperidine analgesic; sedative; μ opioid receptor agonist with greater κ opioid receptor agonist activity than morphine.

TRC

M223900

Analgesic; sedative; anesthetic.Controlled substance (opiate).

ChEBI

CHEBI:31984

The hydrochloride salt of pethidine. An analgesic used for the treatment of postoperative and labour pain.

描述信息

参考文献

PubChem文献

数据源提供

• Fliri, A., et al.: J. Med. Chem., 52, 8038 (2008)

• Hoecker, J., et al.: Anesthesiol., 109, 95 (2008)

• DeRossi, R., et al.: Vet. J., 178, 294 (2008)

参考文献

生物活性

PubChem BioAssay

生物活性

数据来源

产品目录

学术数据

名称和标识

IUPAC标准名

ethyl 1-methyl-4-phenylpiperidine-4-carboxylate hydrochloride

别名

IUPAC传统名

meperidine hydrochloride

商标名

数据登录号

EC号

200-013-3

CAS号

50-13-5

PubChem SID

24896799162226313332875701

MDL号

MFCD00058210

PubChem CID

5750

PubMed文献链接

15862689236658833025641727696551215389992430440421779290

KEGG DRUG Database

D01383

SureChEMBL数据库

SCHEMBL41046

ACToR数据库

55989-09-850-13-52793-00-2

CHEMBL

CHEBI ID

BRENDA数据库

描述信息

M3142

Biochem/physiol Actions
Phenylpiperidine analgesic; sedative; μ opioid receptor agonist with greater κ opioid receptor agonist activity than morphine.

TRC

M223900

Analgesic; sedative; anesthetic.Controlled substance (opiate).

ChEBI

CHEBI:31984

The hydrochloride salt of pethidine. An analgesic used for the treatment of postoperative and labour pain.

参考文献

PubChem文献

数据源提供

• Fliri, A., et al.: J. Med. Chem., 52, 8038 (2008)

• Hoecker, J., et al.: Anesthesiol., 109, 95 (2008)

• DeRossi, R., et al.: Vet. J., 178, 294 (2008)