4-フェニルピペリジン-4-カルボン酸エチル

Normeperidine

HCID 32414CAS 77-17-8

基本情報

標準SMILES: CCOC(=O)C1(c2ccccc2)CCNCC1
InChIKey: QKHMFBKXTNQCTM-UHFFFAOYSA-N
分子式: C14H19NO2
平均分子量: 233.31 g/mol
単同位体質量: 233.14157885

概要

Pethidine-Intermediate-B, ethyl-4-phenylpiperidine-4-carboxylate is a DEA Schedule II controlled substance. Substances in the DEA Schedule II have a high potential for abuse which may lead to severe psychological or physical dependence. It is a Opiates substance.

名称と識別子

優先名称: Normeperidine
IUPAC: ethyl 4-phenylpiperidine-4-carboxylate
現地名: 4-フェニルピペリジン-4-カルボン酸エチル
英語名: NORMEPERIDINE
分子式: C14H19NO2
分子量: 233.31

名称と別名

Ethyl 4-phenylpiperidine-4-carboxylateNormeperidineNorpethidine77-17-8Nordolsin4-Piperidinecarboxylic acid, 4-phenyl-, ethyl esterJG096PMW2NIDS-NP-003DTXSID50227806NSC-23821PETHIDINE-INTERMEDIATE-B, ETHYL-4-PHENYLPIPERIDINE-4-CARBOXYLATERefChem:166645

名称をさらに表示

4-フェニルイソニペコチン酸エチルノルペチジン4-フェニルピペリジン-4-カルボン酸エチルノルドルシン4-フェニル-4-ピペリジンカルボン酸エチルノルメペリジンエチル 4-フェニルピペリジン-4-カルボキシラートPethidine Intermediate BNormeperidine solutionNorpethidine (Normeperidine)NORMEPERIDINE,100/MLINMETHANOL

DTXCID60150297201-008-9Ethyl 4-phenylisonipecotate4-Carbethoxy-4-phenylpiperidine4-Phenyl-4-carbethoxypiperidine4-(Ethoxycarbonyl)-4-phenylpiperidine4-Phenylpiperidine-4-carboxylic acid ethyl esterIsonipecotic acid, 4-phenyl-, ethyl ester

データベース識別子

CAS: 77-17-8
PubChem CID: 32414
DTXSID: DTXSID50227806
ChEMBL: CHEMBL1052
UNII: JG096PMW2N
EC Number: 201-008-9
Nikkaji: J104.492C

物性

構造計算による物性

XLogP: 2
極性表面積: 38.3 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 4
重原子数: 17
形式電荷: 0
複雑度: 253

実験および物理化学的性質

DrugsDEA Schedule II Controlled Substance -> Opiates

物理化学的性質

融点: 36 · 36-38 °C
沸点: 155 °C · 155 °C(Press: 3.5 Torr)
比重(密度): 1.064 · 1.064±0.06 g/cm3(Predicted)
闪点: 11 °C · 11 °C
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 9.58 · 9.58±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory InformationDEA schedule II controlled substance

Other Safety InformationIMAP assessments - 4-Piperidinecarboxylic acid, 4-phenyl-, ethyl ester: Environment tier I assessment

Hazard Classes and CategoriesAcute Tox. 4 (97.5%)

安全データ

wgk: 1
ridadr: UN 1230 3/PG 2
risk_code: 11-23/24/25-39/23/24/25
hazard_code: F,T
safety_code: 7-16-36/37-45

化学と産業

薬理情報

Metabolism/MetabolitesNormeperidine is a known human metabolite of meperidine.

MeSH Pharmacological Classification · 1 件

Drugs that inhibit cholinesterases. The neurotransmitter ACETYLCHOLINE is rapidly hydrolyzed, and thereby inactivated, by cholinesterases. When cholinesterases are inhibited, the action of endogenously released acetylcholine at cholinergic synapses is potentiated. Cholinesterase inhibitors are widely used clinically for their potentiation of cholinergic inputs to the gastrointestinal tract and urinary bladder, the eye, and skeletal muscles; they are also used for their effects on the heart and the central nervous system.

Cellular LocationsMembrane