기본 정보
- CAS
335160-66-2- 표준 SMILES
CN1CCCCC1Cn1cc(C(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21- InChIKey
JRECAXBHMULNJQ-UHFFFAOYSA-N- 분자식
- C26H34N2O
- 평균 분자량
- 390.6 g/mol
- 단동위원소 질량
- 390.26711371
이름 및 식별자
- 우선 이름
- AM-1248
- IUPAC
- 1-adamantyl-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone
- 영어명
- AM -1248, 1-[(N-Methylpiperidin-2-yl)Methyl]-3-(adaMant-1-oyl)indole
- 분자식
- C26H34N2O
- 분자량
- 390.56
이름 및 동의어
335160-66-2AM-1248AM 1248AM1248UNII-5EX9HEF4HK5EX9HEF4HK1-((N-Methylpiperidin-2-yl)methyl)-3-(adamant-1-oyl)indole(1-((1-METHYLPIPERIDIN-2-YL)METHYL)-1H-INDOL-3-YL)(ADAMANTAN-1-YL)METHANONE1-((N-METHYL-2-PIPERIDINYL)METHYL)-3-(1-ADAMANTANECARBONYL)-1H-INDOLE(1-((1-METHYL-2-PIPERIDINYL)METHYL)-1H-INDOL-3-YL)TRICYCLO(3.3.1.13,7)DEC-1-YLMETHANONEMETHANONE, (1-((1-METHYL-2-PIPERIDINYL)METHYL)-1H-INDOL-3-YL)TRICYCLO(3.3.1.13,7)DEC-1-YL-1-[(N-Methylpiperidin-2-yl)Methyl]-3-(adaMant-1-oyl)indole
이름 더 보기
AM1248 solutionHydroxycobalamin HCLAM -1248, 1-[(N-Methylpiperidin-2-yl)Methyl]-3-(adaMant-1-oyl)indole[1-[(1-Methyl-2-piperidinyl)methyl]-1H-indol-3-yl]tricyclo[3.3.1.13,7]dec-1-yl-methanoneMethanone, [1-[(1-methyl-2-piperidinyl)methyl]-1H-indol-3-yl]tricyclo[3.3.1.13,7]dec-1-yl-1,2,3,4,5-Cyclopentanepentayl,1-[bis(4-methoxy-3,5-dimethylphenyl)phosphino]-2-[(S)-(dimethylamino)phenylmethyl]-,ironsalt(2:3)
1-[(N-Methyl-2-piperidinyl)methyl]-3-(1-adamantanecarbonyl)-1H-indoleRefChem:111786Adamantan-1-yl(1-((1-methylpiperidin-2-yl)methyl)-1H-indol-3-yl)methanoneCHEMBL44672821-adamantyl-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanoneSCHEMBL2914461SCHEMBL29387837DTXSID101017326
데이터베이스 식별자
- CAS
335160-66-2- PubChem CID
- 10293794
- DTXSID
DTXSID101017326- ChEMBL
CHEMBL4467282- UNII
- 5EX9HEF4HK
- Nikkaji
- J3.369.666C
물성
구조 계산 물성
- XLogP
- 5.1
- 극성 표면적
- 25.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 603
실험 및 물리화학적 성질
DrugsDEA NFLIS-Drug Category -> Synthetic Cannabinoids
물리화학적 성질
- 끓는 점
- 543.5 · 543.5±20.0 °C(Predicted)
- 밀도
- 1.28 · 1.28
- 저장 조건
- -20 °C · -20°C
- 용해도
- 14 mg/ml; · DMF: 14 mg/ml; DMF:PBS (pH 7.2) (1:4): 0.25 mg/ml; DMSO: 10 mg/ml; Methanol: 1 mg/ml
- 물리적 상태
- 결정성 고체
- 산도 계수 (pKa)
- 9.76 · 9.76±0.10(Predicted)
안전 및 규제
안전 데이터
- risk_code
- 11-23/24/25-39/23/24/25
- hazard_code
- F,T
- safety_code
- 7-16-36/37-45
관련 반응
3건
화합물 노트
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