기본 정보
- CAS
54945-72-1- 표준 SMILES
O=C1CCc2c(cccc2OCC(O)CO)N1- InChIKey
PNLHGHSRNLGLHP-UHFFFAOYSA-N- 분자식
- C12H15NO4
- 평균 분자량
- 237.25 g/mol
이름 및 식별자
- 우선 이름
- 5-(2,3-Dihydroxypropoxy)-3,4-dihydro-2(1H)-quinolinone
- IUPAC
- 5-(2,3-dihydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one
- 영어명
- Carteolol HCl EP Impurity G
- 분자식
- C12H15NO4
- 분자량
- 237.25
이름 및 동의어
54945-72-1BPM2AB99TK2(1H)-Quinolinone, 5-(2,3-dihydroxypropoxy)-3,4-dihydro-5-(2,3-Dihydroxypropoxy)-3,4-dihydrocarbostyrilCarteolol hydrochloride impurity G [EP]5-(2,3-Dihydroxypropoxy)-3,4-dihydro-2(1H)-quinolinone5-((2RS)-2,3-Dihydroxypropoxy)-3,4-dihydroquinolin-2(1H)-one5-[(2RS)-2,3-dihydroxypropoxy]-3,4-dihydroquinolin-2(1H)-oneCARTEOLOL HYDROCHLORIDE IMPURITY G [EP IMPURITY]CARTEOLOL HYDROCHLORIDE IMPURITY G (EP IMPURITY)RefChem:198837Carteolol hydrochloride impurity G
이름 더 보기
Carteolol Impurity 7Carteolol Impurities7Carteolol Impurities1811Carteolol Impurities1804Carteolol Hydrochloride EP Impurity G5-(2,3-dihydroxypropoxy)-3,4-dihydro-2(1H)-quinolone5-(2,3-dihydroxypropoxy)-3,4-dihydroquinolin-2(1H)-one
Carteolol HCl EP Impurity GCarteolol EP Impurity GUNII-BPM2AB99TK5-(2,3-dihydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one3,4-Dihydro-5-(2,3-dihydroxypropoxy)carbostyrilCarteolol EP Impurity G?SCHEMBL106562695-(2,3-dihyroxy)propoxy-3,4-dihydrocarbostyril
데이터베이스 식별자
- CAS
54945-72-1- PubChem CID
- 12285387
- UNII
- BPM2AB99TK
- Nikkaji
- J58.026K
물성
구조 계산 물성
- XLogP
- -0.3
- 극성 표면적
- 78.8 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 271
물리화학적 성질
- 끓는 점
- 537.4 · 537.4±50.0 °C(Predicted)
- 밀도
- 1.309 · 1.309±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 13.46 · 13.46±0.20(Predicted)
- InChI
- InChI=1S/C12H15NO4/c14-6-8(15)7-17-11-3-1-2-10-9(11)4-5-12(16)13-10/h1-3,8,14-15H,4-7H2,(H,13,16)
- InChIKey
- PNLHGHSRNLGLHP-UHFFFAOYSA-N
- SMILES
- N1C2=C(C(OCC(O)CO)=CC=C2)CCC1=O
화학 및 산업
공급사24 곳
天津始加生物医药科技有限公司15022261580 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
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广州佳途科技股份有限公司81960175-877 18933936954 · [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]
杭州云易国科生物科技有限公司18457506494 · [email protected]
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