기본 정보
- CAS
1445583-51-6- 표준 SMILES
CC(C)(C)C(NC(=O)c1nn(Cc2ccc(F)cc2)c2ccccc12)C(N)=O- InChIKey
ZSSGCSINPVBLQD-UHFFFAOYSA-N- 분자식
- C21H23FN4O2
- 평균 분자량
- 382.4 g/mol
- 단동위원소 질량
- 382.18050415
개요
Adb-fubinaca is a member of indazoles and an aromatic amide.
이름 및 식별자
- 우선 이름
- N-(1-(Aminocarbonyl)-2,2-dimethylpropyl)-1-((4-fluorophenyl)methyl)-1H-indazole-3-carboxamide
- IUPAC
- N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide
- 영어명
- N-[1-(Aminocarbonyl)-2,2-dimethylpropyl]-1-[(4-fluorophenyl)methyl]-1H-indazole-3-carboxamide
- 분자식
- C21H23FN4O2
- 분자량
- 382.43
이름 및 동의어
1445583-51-6N-(1-(Aminocarbonyl)-2,2-dimethylpropyl)-1-((4-fluorophenyl)methyl)-1H-indazole-3-carboxamideN-[1-(Aminocarbonyl)-2,2-dimethylpropyl]-1-[(4-fluorophenyl)methyl]-1H-indazole-3-carboxamideRefChem:359862N-?[1-?(aminocarbonyl)-?2,?2-?dimethylpropyl]-?1-?[(4-?fluorophenyl)methyl]-?1H-?indazole-?3-?carboxamideADB-FUBINACA (1.0 mg/mL in Methanol)1H-Indazole-3-carboxamide, N-[1-(aminocarbonyl)-2,2-dimethylpropyl]-1-[(4-fluorophenyl)methyl]-; ADB-FUBINACA; N-(1-Amino-3,3-dimethyl-1-oxobutan-2-yl)-1-[(4-fluorophenyl)methyl]-1H-indazol-3-carboxamideDEA No 7010SCHEMBL13688869CHEBI:189489ADB-FUBINACA (1 mg/mL in Methanol)FA102009
이름 더 보기
ADBFSGT259-PV9ADBF ADB-FADBF ADB-FUBINACABEST PRICES FUBAMBHi purity fubamb powderM-PVP CAS No.:1445583-51-6ADB-FUBINACA (exempt preparation)lowest prices powder fubamb FUBAMB
NS00017596C22699Q15708300N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-[(4-luorophenyl)methyl]indazole-3-carboxamideN-(1-Amino-3,3-dimethyl-1-oxobutan-2-yl)-1-[(4-fluorophenyl)methyl]-1H-indazole-3-carboxamide
데이터베이스 식별자
- CAS
1445583-51-6- PubChem CID
- 70969086
- DTXSID
DTXSID701009981- ChEBI
CHEBI:189489- Nikkaji
- J3.293.458G
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 90 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 571
물리화학적 성질
- 끓는 점
- 656.9 · 656.9±50.0 °C(Predicted)
- 밀도
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- 용해도
- 5 mg/ml; · DMF: 5 mg/ml; DMSO: 10 mg/ml; DMSO:PBS (pH 7.2) (1:1): 0.50 mg/ml; Ethanol: 3 mg/ml
- 물리적 상태
- A neat solid
- 산도 계수 (pKa)
- 11.37 · 11.37±0.46(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- DEA Controlled Substances
- CSCN: 7010CSA SCH: Schedule INARC: No
화학 및 산업
응용 분야
개요ADB-FUBINACA is a synthetic cannabinoid that has recently been identified in herbal blends. Its name refers to its structure, which has a 1-amino-3,3-dimethyl-1-oxobutan-2-yl (ADB) group linked to a 4-fluorobenzyl-1H-indazole-3-carboxamide (FUBINACA) base at the amide group. The physiological and toxicological properties of this compound have not been determined. This product is intended for forensic and research applications.
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