기본 정보
- CAS
937263-23-5- 표준 SMILES
CN(C)C=Nc1ccc(NC(=S)NC(C)(C)CO)cc1C#N- InChIKey
VNKYLVIITITJCY-UHFFFAOYSA-N- 분자식
- C15H21N5OS
- 평균 분자량
- 319.4 g/mol
이름 및 식별자
- 우선 이름
- (E)-N'-(2-cyano-4-(3-(1-hydroxy-2-methylpropan-2-yl)thioureido)phenyl)-N,N-dimethylformimidamide
- IUPAC
- 1-[3-cyano-4-(dimethylaminomethylideneamino)phenyl]-3-(1-hydroxy-2-methylpropan-2-yl)thiourea
- 영어명
- 1-(3-cyano-4-((dimethylamino)methyleneamin
- 분자식
- C15H21N5OS
- 분자량
- 319.43
이름 및 동의어
(E)-N'-(2-cyano-4-(3-(1-hydroxy-2-methylpropan-2-yl)thioureido)phenyl)-N,N-dimethylformimidamide1429755-57-6RefChem:406378814-560-6Tucatinib Impurity 41-{3-cyano-4-[(E)-[(dimethylamino)methylidene]amino]phenyl}-3-(1-hydroxy-2-methylpropan-2-yl)thioureaN-[3-cyano-4-[[(dimethylamino)methylene]amino]phenyl]-N'-(2-hydroxy-1,1-dimethylethyl)Thiourea937263-23-5starbld0008439ZVW47H5XM6SCHEMBL1192514SCHEMBL1192515
이름 더 보기
Irbinitinib ImpurityTulatinib Impurity 1Irbinitinib Impurity 5Irbinitinib Impurity 1Irbinitinib Impurity 61-(3-cyano-4-((dimethylamino)methyleneaminN-[3-Cyano-4-[[(dimethylamino)methylene]amino]phenyl]-N′-(2-hydroxy-1,1-dimethylethyl)thioureaThiourea, N-[3-cyano-4-[[(dimethylamino)methylene]amino]phenyl]-N'-(2-hydroxy-1,1-dimethylethyl)-
SCHEMBL20838797SCHEMBL29677017WLZ3179VNKYLVIITITJCY-LICLKQGHSA-NVNKYLVIITITJCY-UHFFFAOYSA-NDB-387489(1E)-N'-[2-Cyano-4-[[[(2-hydroxy-1,1-dimethylethyl)amino]thioxomethyl]amino]phenyl]-N,N-dimethylmethanimidamide(E)-N'-(2-cyano -4-(3-(1-hydroxy-2-methylpropan-2-yl)thioureido)phenyl)-N,N-dimethylformimidamide
물성
구조 계산 물성
- XLogP
- 0.8
- 극성 표면적
- 116 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 454
물리화학적 성질
- 끓는 점
- 489.2 · 489.2±55.0 °C(Predicted)
- 밀도
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.91 · 11.91±0.70(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationStatus: Active Update: 25-06-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/29505
Hazard Classes and CategoriesSkin Sens. 1 (100%)
화학 및 산업
공급사33 곳
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
上海瑞上医药科技有限公司+86-021-54326183-8001 +86-18917565227 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
Shanghai Innopharm Industrial Co., Ltd.+86-21-59960785 +86-17701845089 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
安庆多辉生物科技有限公司19121697802 · [email protected]
山东君泰药业有限公司15901008306 · [email protected]
NANJING YINGWEN BIOTECHNOLOGY CO LTD+8613382787392 · [email protected]
苏州莱安医药化学技术有限公司0512-68780025 18962125825 · [email protected]
上海度德医药科技有限公司02169927523 18917564668 · [email protected]
上海法默生物科技有限公司02136680027 15800370750 · [email protected]
上海厚博生物科技有限公司+21-18501659228 18501659228 · [email protected]
郑州安步防护用具有限公司
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