기본 정보
- CAS
444912-75-8- 표준 SMILES
CN1CCCCC1Cn1cc(C(=O)c2ccccc2I)c2ccccc21- InChIKey
KSLCYQTUSSEGPT-UHFFFAOYSA-N- 분자식
- C22H23IN2O
- 평균 분자량
- 458.3 g/mol
- 단동위원소 질량
- 458.08551
개요
(2-iodophenyl)(1-((1-methylpiperidin-2-yl)methyl)-1H-indol-3-yl)methanone is a DEA Schedule I controlled substance. Substances in the DEA Schedule I have no currently accepted medical use in the United States, a lack of accepted safety for use under medical supervision, and a high potential for abuse. It is a Cannabimimetic agents substance.
이름 및 식별자
- 우선 이름
- 1-((N-Methyl-2-piperidinyl)methyl)-3-(2-iodobenzoyl)-1H-indole
- IUPAC
- (2-iodophenyl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone
- 영어명
- AM-2233
- 분자식
- C22H23IN2O
- 분자량
- 458.34
이름 및 동의어
444912-75-8AM-2233Z489688DK3DTXSID4010141711-[(N-Methyl-2-piperidinyl)methyl]-3-(2-iodobenzoyl)-1H-indole1-((N-METHYL-2-PIPERIDINYL)METHYL)-3-(2-IODOBENZOYL)-1H-INDOLERefChem:1053675DTXCID701436712AM-2233, (A+-)-160N27WT0S(2-Iodophenyl)(1-((1-methylpiperidin-2-yl)methyl)-1H-indol-3-yl)methanoneCHEMBL364266
이름 더 보기
CS-3251-[(N-Methylpiperidin-2-yl)Methyl]-3-(2-iodobenzoyl)indole1-[(N-Methylpiperidin-2-yl)methyl]-3-(2-iodobenzoyl)-1H-indole(2-iodophenyl)-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone(2-Iodophenyl)[1-[(1-methyl-2-piperidinyl)methyl]-1H-indol-3-yl]methanoneMethanone, (2-iodophenyl)[1-[(1-methyl-2-piperidinyl)methyl]-1H-indol-3-yl]-
1-((N-Methylpiperidin-2-yl)methyl)-3-(2-iodobenzoyl)indoleAM-2233 (1mg/ml in Acetonitrile)(2-iodanylphenyl)-[1-[[(2S)-1-methylpiperidin-2-yl]methyl]indol-3-yl]methanone(2-Iodophenyl){1-[(1-methylpiperidin-2-yl)methyl]-1H-indol-3-yl}methanoneUNII-Z489688DK3KSLCYQTUSSEGPT-UHFFFAOYSA-NMethanone, (2-iodophenyl)[1-[(1-methyl-2-piperidinyl)methyl]-1H-indol-3-yl]-; 1-[(N-Methyl-2-piperidinyl)methyl]-3-(2-iodobenzoyl)-1H-indole; AM-2233; AM 2233; (2-Iodophenyl){1-[(1-methylpiperidin-2-yl)methyl]-1H-indol-3-yl}methanoneSCHEMBL22028069
물성
구조 계산 물성
- XLogP
- 4.9
- 극성 표면적
- 25.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 499
실험 및 물리화학적 성질
Drugs
DEA NFLIS-Drug Category -> Synthetic Cannabinoids
DEA Schedule I Controlled Substance -> Cannabimimetic agents
Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
Collision Cross Section185.33 Ų [M+H]+
물리화학적 성질
- 끓는 점
- 571 · 571.0±30.0 °C(Predicted)
- 밀도
- 1.48 · 1.48
- 용해도
- 20 mg/ml; · DMF: 20 mg/ml; DMF:PBS (pH 7.2) (1:9): 0.1 mg/ml; DMSO: 15 mg/ml; Ethanol: 0.5 mg/ml
- 물리적 상태
- 결정성 고체
- 산도 계수 (pKa)
- 9.74 · 9.74±0.10(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationDEA schedule I controlled substance
Hazard Classes and CategoriesAcute Tox. 3 (100%)
안전 데이터
- 신호 어
- Danger
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H301
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