기본 정보
- CAS
67018-85-3- 표준 SMILES
COc1ccc(CCNCCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC- InChIKey
UPKQNCPKPOLASS-UHFFFAOYSA-N- 분자식
- C26H36N2O4
- 평균 분자량
- 440.6 g/mol
- 단동위원소 질량
- 440.26750763
개요
2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-(propan-2-yl)pentanenitrile is a secondary amino compound that is 3,4-dimethoxyphenylethylamine in which one of the hydrogens attached to the nitrogen has been replaced by a 4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl group. It is a nitrile, an aromatic ether, a polyether and a secondary amino compound.
이름 및 식별자
- 우선 이름
- Norverapamil
- IUPAC
- 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-propan-2-ylpentanenitrile
- 현지명
- 노르베라파밀
- 영어명
- NORVERAPAMIL
- 분자식
- C26H36N2O4
- 분자량
- 440.58
이름 및 동의어
Norverapamil67018-85-3N-demethylverapamilDTXSID80873799957Z3K3R562-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-propan-2-ylpentanenitrilealpha-(3-((2-(3,4-Dimethoxyphenyl)ethyl)amino)propyl)-3,4-dimethoxy-alpha-(1-methylethyl)benzeneacetonitrileD-591Benzeneacetonitrile, alpha-(3-((2-(3,4-dimethoxyphenyl)ethyl)amino)propyl)-3,4-dimethoxy-alpha-(1-methylethyl)-2-(3,4-dimethoxyphenyl)-5-(2-(3,4-dimethoxyphenyl)ethylamino)-2-propan-2-ylpentanenitrile(2RS)-2-(3,4-Dimethoxyphenyl)-5-((2-(3,4-dimethoxy-phenyl)ethyl)amino)-2-(1-methylethyl)pentanenitrileRefChem:854768
이름 더 보기
노르베라파밀D591Norverapamil D6Verapamil Impurity JCrufomate Impurity 3Verapamil EP Impurity J Monomer(2RS)-2-(3,4-Dimethoxy-phenyl)-5-[[2-(3,4-Dimethoxyphenyl)-2-isopropyl-5-(3,4-dimethoxyphenethylamino)valeronitrile5-[(3,4-dimethoxyphenethyl)amino]-2-(3,4-dimethoxyphenyl)-2-isopropylvaleronitrile
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 72.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 577
실험 및 물리화학적 성질
Chemical ClassesPharmaceutical
DrugsPharmaceuticals -> Metabolite of Verapmil
Collision Cross Section207.3 Ų [M+H]+ [CCS Type: TW; Method: Major Mix IMS/Tof Calibration Kit (Waters)]
물리화학적 성질
- 끓는 점
- 586.1 · 586.1±50.0 °C(Predicted)
- 밀도
- 1.063 · 1.063±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.79 · 9.79±0.19(Predicted)
- EPA
- 3 · Benzeneacetonitrile, .alpha.-[3-[[2-(3,4-dimethoxyphenyl)ethyl]amino]propyl]-3,4-dimethoxy-.alpha.-(1-methylethyl)- (67018-85-3)
화학적 성질
Yellowish to brownish oil
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]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
독성 정보
USGS Health-Based Screening Levels for Evaluating Water-Quality
Norverapamil
Pharmaceutical
Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP
안전 데이터
- 신호 어
- Danger
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H301
화학 및 산업
약리 정보
Metabolism/MetabolitesNorverapamil has known human metabolites that include D-715 (PR-22), 2-(3,4-dimethoxyphenyl)acetaldehyde, and 5-Amino-2-(3,4-dimethoxyphenyl)-2-isopropylvaleronitrile.
MeSH Pharmacological ClassificationA class of drugs that act by selective inhibition of calcium influx through cellular membranes.
Tissue LocationsKidney
Cellular LocationsCytoplasm
공급사21 곳
上海策嵘生物科技有限公司[email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
玺标（上海）科技有限公司18512111473 18512111473 · [email protected]
大赛璐药物手性技术（上海）有限公司021-50460086-9 15921403865 · [email protected]
上海明褀化学有限公司86-21-60936353
湖北扬信医药科技有限公司15347293736 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
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