JWH-122 N-(5-hydroxypentyl)metabolite
기본 정보
- CAS
1379604-68-8- 표준 SMILES
Cc1ccc(C(=O)c2cn(CCCCCO)c3ccccc23)c2ccccc12- InChIKey
JRALTDRFXRCGRH-UHFFFAOYSA-N- 분자식
- C25H25NO2
- 평균 분자량
- 371.5 g/mol
- 단동위원소 질량
- 371.18852904
이름 및 식별자
- 우선 이름
- JWH-122 N-(5-hydroxypentyl)metabolite
- IUPAC
- [1-(5-hydroxypentyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanone
- 영어명
- JWH 122 N-(5-hydroxypentyl) metabolite
- 분자식
- C25H25NO2
- 분자량
- 371.47
이름 및 동의어
1379604-68-8JWH 122 N-(5-hydroxypentyl) metaboliteJWH-122 N-(5-hydroxypentyl)metaboliteJWH-122 N-5-OH MUNII-1DXC0K8NY01DXC0K8NY0[1-(5-hydroxypentyl)indol-3-yl]-(4-methylnaphthalen-1-yl)methanoneMethanone, (1-(5-hydroxypentyl)-1H-indol-3-yl)(4-methyl-1-naphthalenyl)-JWH-122 N-(5-hydroxypentyl) metaboliteJWH-122 5-Hydroxypentyl (1.0mg/ml in Acetonitrile)JRALTDRFXRCGRH-UHFFFAOYSA-NDTXSID001017816
이름 더 보기
Methanone, [1-(5-hydroxypentyl)-1H-indol-3-yl](4-methyl-1-naphthalenyl)-
EFC60468MAM2201 N-(5-hydroxypentyl) metaboliteNS00100948JWH-122 5-Hydroxypentyl (1 mg/ml in Acetonitrile)Q27252304[1-(5-Hydroxypentyl)-1H-indol-3-yl](4-methyl-1-naphthalenyl)-methanone[1-(5-Hydroxypentyl)-1H-indol-3-yl](4-methylnaphthalen-1-yl)methanone(1-(5-HYDROXYPENTYL)-1H-INDOL-3-YL)(4-METHYL-1-NAPHTHALENYL)METHANONE
데이터베이스 식별자
- CAS
1379604-68-8- PubChem CID
- 91744121
- DTXSID
DTXSID001017816- UNII
- 1DXC0K8NY0
물성
구조 계산 물성
- XLogP
- 5.3
- 극성 표면적
- 42.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 521
물리화학적 성질
- 끓는 점
- 607.8 · 607.8±40.0 °C(Predicted)
- 밀도
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- 용해도
- 10 mg/ml; · DMF: 10 mg/ml; DMSO: 12.5 mg/ml; Ethanol: 10 mg/ml
- 물리적 상태
- 결정성 고체
- 산도 계수 (pKa)
- 15.17 · 15.17±0.10(Predicted)
화학 및 산업
응용 분야
개요JWH 122 is a synthetic cannabinoid (CB) of the naphthoylindole class that is structurally related to JWH 018 and JWH 073. It displays high-affinities for both CB1 (Ki = 0.69 nM) and CB2 (Ki = 1.2 nM) receptors. JWH 122 N-(5-hydroxypentyl) metabolite is a metabolite of JWH 122 that is characterized by monohydroxylation of the N-alkyl chain. Currently, there are no reports of its biological activity.
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