기본 정보
- CAS
142347-84-0- 표준 SMILES
CCC(C)(C)c1ccc(CC(C)CN(C=O)CC(C)OC(C)=O)cc1- InChIKey
YMDVLBDRYRAZFN-UHFFFAOYSA-N- 분자식
- C21H33NO3
- 평균 분자량
- 347.5 g/mol
- 단동위원소 질량
- 347.24604391
이름 및 식별자
- 우선 이름
- Amorolfine EP Impurity B
- IUPAC
- 1-[formyl-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl]amino]propan-2-yl acetate
- 영어명
- N-[2-(acetyloxy)propyl]-N-[3-[4-(1,1-diMethylpropyl)phenyl]-2-Methylpropyl]-forMaMide
- 분자식
- C21H33NO3
- 분자량
- 347.49
이름 및 동의어
142347-84-0Amorolfine EP Impurity B1-(N-(2-Methyl-3-(4-(tert-pentyl)phenyl)propyl)formamido)propan-2-yl acetateN-[2-(acetyloxy)propyl]-N-[3-[4-(1,1-dimethylpropyl)phenyl]-2-methylpropyl]-formamideN-[2-(Acetyloxy)propyl]-N-[3-[4-(1,1-dimethylpropyl)phenyl]-2-methylpropyl]formamideAmorolfine Impurity 16RD5FEN6HV7SCHEMBL28202686Ro 40-1021DB-266011G87459AMOROLFINE HYDROCHLORIDE IMPURITY B [EP IMPURITY]
이름 더 보기
Ro40-1021Amorolfine ImpurityAmorolfine Impurity 2（Amorolfine EP Impurity B）Amorolfine Impurity 1 (Mixture of Diastereomers)Amorolfine Impurity 1 (Amorolfine Related Compound Ro 40-1021)Amorolfine Impurity 2 (Amorolfine Hydrochloride EP Impurity B)(R)-1-(N-((R)-2-methyl-3-(4-(tert-pentyl)phenyl)propyl)formamido)propan-2-yl acetate
1-(N-(2-Methyl-3-(4-tert-pentylphenyl)propyl)formamido)propan-2-yl acetateFormamide, N-[2-(acetyloxy)propyl]-N-[3-[4-(1,1-dimethylpropyl)phenyl]-2-methylpropyl]-
데이터베이스 식별자
- CAS
142347-84-0- PubChem CID
- 10043312
- UNII
- RD5FEN6HV7
- Nikkaji
- J487.663F
물성
구조 계산 물성
- XLogP
- 5
- 극성 표면적
- 46.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 413
물리화학적 성질
- 끓는 점
- 481.8 · 481.8±38.0 °C(Predicted)
- 밀도
- 1.003 · 1.003±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- -0.68 · -0.68±0.70(Predicted)
- InChI
- InChI=1S/C21H33NO3/c1-7-21(5,6)20-10-8-19(9-11-20)12-16(2)13-22(15-23)14-17(3)25-18(4)24/h8-11,15-17H,7,12-14H2,1-6H3
- InChIKey
- YMDVLBDRYRAZFN-UHFFFAOYSA-N
- SMILES
- C(N(CC(OC(C)=O)C)CC(C)CC1=CC=C(C(C)(C)CC)C=C1)=O
화학 및 산업
응용 분야
용도Amorolfine EP Impurity B (N-[2-(acetyloxy)propyl]-N-[3-[4-(1,1-diMethylpropyl)phenyl]-2-Methylpropyl]-forMaMide) is used as a reference standard in analytical research. It ensures consistency of formulations.
공급사48 곳
济南百隆化学有限公司[email protected] · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
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南京望知星医药科技有限公司18569809817 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
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NANJING YINGWEN BIOTECHNOLOGY CO LTD
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