기본 정보
- CAS
1189725-26-5- 표준 SMILES
Cl.[2H]C([2H])([2H])C(NC(C)C(=O)c1cccc(Cl)c1)(C([2H])([2H])[2H])C([2H])([2H])[2H]- InChIKey
HEYVINCGKDONRU-WWMMTMLWSA-N- 분자식
- C13H19Cl2NO
- 평균 분자량
- 285.25 g/mol
- 단동위원소 질량
- 284.1408603
이름 및 식별자
- 우선 이름
- 1-(3-Chlorophenyl)-2-((1,1-di(methyl-d3)ethyl-2,2,2-d3)amino)-1-propanone-3,3,3-d3 monohydrochloride
- IUPAC
- 1-(3-chlorophenyl)-2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]propan-1-one;hydrochloride
- 현지명
- 부프로피온-D9염산염
- 영어명
- Bupropion-d9 hydrochloride
- 분자식
- C13H9ClD9NO.ClH
- 분자량
- 285.26
이름 및 동의어
1189725-26-5DTXSID606618331-(3-Chlorophenyl)-2-((1,1-di(methyl-d3)ethyl-2,2,2-d3)amino)-1-propanone-3,3,3-d3 monohydrochloride1-(3-chlorophenyl)-2-[[1,1-di(methyl-d3)ethyl-2,2,2-d3]amino]-1-propanone-3,3,3-d3 monohydrochlorideRefChem:1054151DTXCID701775122Bupropion-d9 hydrochlorideBupropion hydrochloride-d9Bupropion-d9 (hydrochloride)1-(3-chlorophenyl)-2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]propan-1-one;hydrochloride1-(3-chlorophenyl)-2-{[2-(?H?)methyl(1,1,1,3,3,3-?H?)propan-2-yl]amino}propan-1-one hydrochloride(+/-)-Bupropion-d9 HCl (tert-butyl-d9)
이름 더 보기
부프로피온-D9염산염Zyban-d9Budeprion-d9Wellbutrin-d9Avibactam Impurity 88Bupropion Impurity 5 HClElontril-d9 HydrochlorideAplenzin-d9 HydrochlorideD9-Bupropion hydrochlorideAMfebutaMon-d9 Hydrochloride
(+/-)-Bupropion-D9 hydrochloride solutionMSK10349D9MFCD08063410AKOS037645309AS-6005(+/-)-BUPROPION-D9 HYDROCHLORIDEF905601-(3-chlorophenyl)-2-((2-(methyl-d3)propan-2-yl-1,1,1,3,3,3-d6)amino)propan-1-one hydrochloride
데이터베이스 식별자
- CAS
1189725-26-5- PubChem CID
- 45038477
- DTXSID
DTXSID60661833- EC Number
- 802-605-2
물성
구조 계산 물성
- 극성 표면적
- 29.1 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 247
물리화학적 성질
- 녹는점
- 233 · 233-234°C
- 인화점
- 9 ℃ · 9℃
- 저장 조건
- -20 °C · -20°C Freezer
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨), 물(약간 용해됨)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
- 주요 응용
- 임상 시험
- InChI
- 1S/C13H18ClNO.ClH/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10;/h5-9,15H,1-4H3;1H/i2D3,3D3,4D3;
- InChIKey
- HEYVINCGKDONRU-WWMMTMLWSA-N
- SMILES
- CC(NC(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])C(C1=CC=CC(Cl)=C1)=O.Cl
화학적 성질
White to Off White Cyrstalline Solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- wgk
- 1
- ridadr
- UN1230 - class 3 - PG 2 - Methanol, solution
- risk_code
- 11-23/24/25-39/23/24/25
- hazard_code
- F,T
- safety_code
- 7-16-36/37-45
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralFlam. Liq. 2STOT SE 1
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
응용 분야
개요Bupropion-d9 (hydrochloride) (CRM) (Item No. 22487) is a certified reference material intended for use as an internal standard for the quantification of bupropion by GC- or LC-MS. Bupropion is categorized as an antidepressant. It is also useful in promoting smoking cessation. This product is intended for research and forensic applications.
용도(Bupropion D9 Hydrochloride) The isotopically labelled Bupropion, a selective inhibitor of dopamine uptake. Bupropion is an antidepressant of the aminoketone class; aid in smoking cessation
일반 설명Bupropion is an antidepressant and smoking cessation drug sold under the trade names Wellbutrin and Zyban. Suitable uses for this certified solution standard include as an internal standard for quantitation of bupropion levels in biological matrices such as urine or isotope dilution methods by LC/MS or GC/MS for clinical toxicology, urine drug testing, or forensic analysis applications.
공급사
불러오는 중…
공개 문의
불러오는 중…
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…