기본 정보
- CAS
31161-17-8- 표준 SMILES
CCC1=[N+](C)C(C)CC1(c1ccccc1)c1ccccc1.[O-][Cl+3]([O-])([O-])[O-]- InChIKey
FICCBMGBBWWZRF-UHFFFAOYSA-M- 분자식
- C20H24ClNO4
- 평균 분자량
- 377.9 g/mol
- 단동위원소 질량
- 377.1393859
이름 및 식별자
- 우선 이름
- 5-Ethyl-1,2-dimethyl-4,4-diphenyl-2,3-dihydropyrrol-1-ium;perchlorate
- IUPAC
- 5-ethyl-1,2-dimethyl-4,4-diphenyl-2,3-dihydropyrrol-1-ium perchlorate
- 영어명
- Methadone metabolite
- 분자식
- C20H24ClNO4
- 분자량
- 377.87
이름 및 동의어
5-ethyl-1,2-dimethyl-4,4-diphenyl-2,3-dihydropyrrol-1-ium;perchlorateRefChem:535450853-152-231161-17-8EDDP (perchlorate) (CRM)EDDP (perchlorate)d,l-EDDP.perchlorateEDDP Perchlorate; 2-Ethyl-1,5-dimethyl-3,3-diphenylpyrrolinium Perchlorate; 5-Ethyl-3,4-dihydro-1,2-dimethyl-4,4-diphenyl-2H-pyrrolium perchlorate (1:1)EDDP PERCHLORATEMethadone metaboliteSCHEMBL4902337SCHEMBL30603430
이름 더 보기
EDDP Perchlorate (1:1)EDDP perchlorate solutionEDDP Perchlorate (2-Ethyl-1,5-dimethyl-3,3-diphenylpyrrolinium Perchlorate)EDDP Perchlorate (2-Ethyl-1,5-dimethyl-3,3-diphenylpyrrolinium Perchlorate) 1.0 mg/ml in Methanol (as Pyrrolinium)EDDP Perchlorate (2-Ethyl-1,5-dimethyl-3,3-diphenylpyrrolinium Perchlorate) 0.1 mg/ml in Methanol (as Pyrrolinium)
DTXSID80880948GBA16117MSK11411HY-135161CS-0109662d,l-EDDP.perchlorate, 1mg/ml in Methanol (as free base)5-Ethyl-3,4-dihydro-1,2-dimethyl-4,4-diphenyl-2H-pyrrolium perchlorate2-Ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine perchlorate(cis/trans mixture)
물성
구조 계산 물성
- 극성 표면적
- 77.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 460
물리화학적 성질
- 인화점
- 9 ℃ · 9℃
- 저장 조건
- -20 °C · -20°C
- 물리적 상태
- solid
- 주요 응용
- 법의학 및 독성학
- InChI
- 1S/C20H24N.ClHO4/c1-4-19-20(15-16(2)21(19)3,17-11-7-5-8-12-17)18-13-9-6-10-14-18;2-1(3,4)5/h5-14,16H,4,15H2,1-3H3;(H,2,3,4,5)/q+1;/p-1
- InChIKey
- FICCBMGBBWWZRF-UHFFFAOYSA-M
- SMILES
- C[N+]1=C(CC)C(C2=CC=CC=C2)(C3=CC=CC=C3)CC1C.O=Cl(=O)([O-])=O
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]
P261, P264, P270, P271, P301+P316, P304+P340, P319, P321, P330, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 3 (100%)
안전 데이터
- wgk
- 2
- 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
일반 설명A Certified Reference Material of the major urinary metabolite of methadone. Methadone, sold under various trade names such as Symoron, Amidone or Methadose, is a synthetic opioid used medically as an analgesic and as a maintenance anti-addictive for use in patients with opioid dependency. Suitable uses for this reference standard include as starting material in preparation of calibrators and controls for LC/MS or GC/MS methods in methadone testing for applications in clinical toxicology or forensic analysis.
공급사2 곳
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
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