기본 정보
- CAS
70-22-4- 표준 SMILES
O=C1CCCN1CC#CCN1CCCC1- InChIKey
RSDOPYMFZBJHRL-UHFFFAOYSA-N- 분자식
- C12H18N2O
- 평균 분자량
- 206.28 g/mol
- 단동위원소 질량
- 206.1419132
개요
Oxotremorine is a N-alkylpyrrolidine.
이름 및 식별자
- 우선 이름
- Oxotremorine
- IUPAC
- 1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one
- 현지명
- 옥소트레모린
- 영어명
- OXOTREMORINE
- 분자식
- C12H18N2O
- 분자량
- 206.28
이름 및 동의어
OxotremorineOxytremorine70-22-41-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one5RY0UWH1JLDTXSID102202522-PYRROLIDINONE, 1-(4-(1-PYRROLIDINYL)-2-BUTYNYL)-NSC-3304972-Pyrrolidinone, 1-[4-(1-pyrrolidinyl)-2-butynyl]-RefChem:389174DTXCID10142743200-728-0
이름 더 보기
옥소트레모린2’-oxopyrrolidino-1-pyrrolidino-4-butyne1-(4-pyrrolidin-1-ylbut-2-ynyl)-2-pyrrolidone1-(4-(1-pyrrolidinyl)-2-butynyl)-2-pyrrolidinon1-(4-(pyrrolidin-1-yl)but-2-ynyl)pyrrolidin-2-one1-[4-(Pyrrolidin-1-yl)-2-butynyl]pyrrolidin-2-one1-(4-(Pyrrolidin-1-yl)but-2-yn-1-yl)pyrrolidin-2-one1-(2-Oxopyrrolidin-1-yl)-4-(pyrrolidin-1-yl)-2-butyne
OxotremorinTremorine, oxo-2'-Oxopyrrolidino-1-pyrrolidino-4-butyneMLS0007662601-(4-(1-Pyrrolidinyl)-2-butynyl)-2-pyrrolidinoneCHEMBL76341-[4-(1-Pyrrolidinyl)-2-butynyl]-2-pyrrolidinoneEINECS 200-728-0
데이터베이스 식별자
- CAS
70-22-4
물성
구조 계산 물성
- XLogP
- 0.4
- 극성 표면적
- 23.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 293
실험 및 물리화학적 성질
Dissociation Constants8.4
물리화학적 성질
- 녹는점
- 25 °C · <25 °C
- 끓는 점
- 124 °C0.1 · 124 °C0.1 mm Hg(lit.)
- 밀도
- 1 g/mL · 1 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.517(lit.)
- 인화점
- 113 °C · 113 °C
- 저장 조건
- 2 · 2-8°C
- 용해도
- 2 O: · H2O: 50 mg/mL
- 물리적 상태
- 액체
- 산도 계수 (pKa)
- 8.29 · 8.29±0.20(Predicted)
- 색상
- 투명하고 연한 노란색
- Merck
- 13 · 13,7020
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
P260, P264, P264+P265, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 66 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 2 (100%)
안전 데이터
- wgk
- 3
- rtecs
- UY5950100
- ridadr
- UN 2810 6.1/PG 1
- 독성
- LD50 ipr-rat: 4400 mg/kg TXAPA9 14,67,69
- risk_code
- 28-34
- hazard_code
- T+,C
- safety_code
- 26-36/37/39-45
- 포장분류
- I
- 위험 등급
- 6.1(a)
- F 고인화성물질
- 10-23
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Drugs that bind to and activate muscarinic cholinergic receptors (RECEPTORS, MUSCARINIC). Muscarinic agonists are most commonly used when it is desirable to increase smooth muscle tone, especially in the GI tract, urinary bladder and the eye. They may also be used to reduce heart rate.
응용 분야
일반 설명Oxotremorine [1-(-pyrrolidono)-4-pyrrolidino-2-butyne] has been regarded as a CNS muscarinicstimulant. Its action on the brain produces tremors inexperimental animals. It increases ACh brain levels in ratsup to 40% and has been studied as a drug in the treatment ofAlzheimer disease. Although earlier studies suggested thatthis approach of elevating levels of ACh to treat Alzheimerdisease is useful, this belief was highly disputed by manyresearchers.
공급사9 곳
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
上海兰科化学有限公司021-61916491 15921747686 · [email protected]
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