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기본 정보
- CAS
641569-96-2- 표준 SMILES
CCOC(=O)c1ccc(C)c(N=C(N)N)c1.O=[N+]([O-])O- InChIKey
YQMZYKJPGMVZJL-UHFFFAOYSA-N- 분자식
- C11H16N4O5
- 평균 분자량
- 284.272 g/mol
- 단동위원소 질량
- 284.11206961
이름 및 식별자
- 우선 이름
- Nitric acid--ethyl 3-[(diaminomethylidene)amino]-4-methylbenzoate (1/1)
- IUPAC
- Nitric acid--ethyl 3-[(diaminomethylidene)amino]-4-methylbenzoate (1/1)
- 현지명
- 3-[(아미노이미노메틸)아미노]-4-메틸벤조산에틸에스테르모노니트레이트
- 영어명
- 3-[(Aminoiminomethyl)amino]-4-methylbenzoic acid ethyl ester mononitrate
- 분자식
- C11H15N3O2.HNO3
- 분자량
- 284.27
이름 및 동의어
3-[(아미노이미노메틸)아미노]-4-메틸벤조산에틸에스테르모노니트레이트NILOTINIB IMPURITY 22Nilotinib Impurity 35Nilotinib Impurity(Nitrate)Nilotinib Impurity 16(Nitrate)Nilotinib Impurity 32(Nitrate)ethyl 3-guanidino-4-methylbenzoateFluticasone Furoate impurity / relatedEthyl 3-guanidino-4-methylbenzoate nitrateEthyl 3-Carbamimidoylamino-p-toluate Nitrate2-Methyl-5-(ethylcarboxy)phenylguanidine nitrate
데이터베이스 식별자
- CAS
641569-96-2- PubChem CID
- 44181764
- DTXSID
DTXSID70657702- EC Number
- 808-104-5
물성
물리화학적 성질
- 녹는점
- 197 to · 197.0 to 201.0 °C
- 저장 조건
- Sealed in dry,Room Temperature
- 물리적 상태
- powder to crystal
- 색상
- 흰색에서 거의 흰색
- InChI
- InChI=1S/C11H15N3O2.HNO3/c1-3-16-10(15)8-5-4-7(2)9(6-8)14-11(12)13;2-1(3)4/h4-6H,3H2,1-2H3,(H4,12,13,14);(H,2,3,4)
- InChIKey
- YQMZYKJPGMVZJL-UHFFFAOYSA-N
- SMILES
- C(C1C=C(C(C)=CC=1)NC(N)=N)(OCC)=O.[N+]([O-])(=O)O
화학적 성질
3-[(Aminoiminomethyl)amino]-4-methylbenzoic acid ethyl ester mononitrate Appearance white to almost white powder to crystals, melting point 199 °C, storage 2-8 °C.
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- HS 번호
- 2925.29.9000
화학 및 산업
응용 분야
용도3-[(Aminoiminomethyl)amino]-4-methylbenzoic acid ethyl ester mononitrate is an organic synthetic material or pharmaceutical intermediate compound that can be used in the preparation of N-phenyl-2-pyrimidinamine derivatives and in the synthesis of nilotinib and its salts. Nilotinib is a tyrosine kinase inhibitor used for the treatment of drug-resistant chronic myelogenous leukemia (CML), and in particular, for the treatment of chronic phase and accelerated phase Philadelphia chromosome positive chronic myeloid leukemia (CML) in adult patients whose disease has progressed on or who cannot tolerate other therapies that included imatinib. Nilotinib is administrated as a hydrochloride salt in the form of capsules that are marketed in the USA and the EU under the name Tasigna.
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공급사100 곳
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