기본 정보
- 표준 SMILES
CCOC(=O)C1(c2ccccc2)CCNCC1- InChIKey
QKHMFBKXTNQCTM-UHFFFAOYSA-N- 분자식
- C14H19NO2
- 평균 분자량
- 233.31 g/mol
- 단동위원소 질량
- 233.14157885
개요
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.
이름 및 식별자
- 우선 이름
- Normeperidine
- IUPAC
- ethyl 4-phenylpiperidine-4-carboxylate
- 영어명
- NORMEPERIDINE
- 분자식
- C14H19NO2
- 분자량
- 233.31
이름 및 동의어
Ethyl 4-phenylpiperidine-4-carboxylateNormeperidineNorpethidine77-17-8Nordolsin4-Piperidinecarboxylic acid, 4-phenyl-, ethyl esterJG096PMW2NIDS-NP-003DTXSID50227806NSC-23821PETHIDINE-INTERMEDIATE-B, ETHYL-4-PHENYLPIPERIDINE-4-CARBOXYLATERefChem:166645
이름 더 보기
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
데이터베이스 식별자
- CAS
77-17-8- PubChem CID
- 32414
- DTXSID
DTXSID50227806- ChEMBL
CHEMBL1052- UNII
- JG096PMW2N
- EC Number
- 201-008-9
- Nikkaji
- J104.492C
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 38.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 253
실험 및 물리화학적 성질
DrugsDEA Schedule II Controlled Substance -> Opiates
물리화학적 성질
- 녹는점
- 36 · 36-38 °C
- 끓는 점
- 155 °C · 155 °C(Press: 3.5 Torr)
- 밀도
- 1.064 · 1.064±0.06 g/cm3(Predicted)
- 인화점
- 11 °C · 11 °C
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 9.58 · 9.58±0.10(Predicted)
안전 및 규제
GHS 분류
GHS Classification
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.
유해성 정보
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%)
안전 데이터
- 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
화학 및 산업
약리 정보
Metabolism/MetabolitesNormeperidine is a known human metabolite of meperidine.
MeSH Pharmacological Classification
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
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