기본 정보
- CAS
1076198-64-5- 표준 SMILES
COc1c(C)c2c(c(O)c1CC=C(C)CCC(=O)OCCN1CCOCC1)C(=O)OC2- InChIKey
RTGDFNSFWBGLEC-UHFFFAOYSA-N- 분자식
- C23H31NO7
- 평균 분자량
- 433.5 g/mol
- 단동위원소 질량
- 433.21005233
이름 및 식별자
- 우선 이름
- 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-4-hexenoic acid 2-(4-morpholinyl)ethyl ester
- IUPAC
- 2-morpholin-4-ylethyl 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate
- 현지명
- (4Z)-마이코페놀레이트모페틸(EP불순물C)
- 영어명
- (4Z)-Mycophenolate Mofetil (EP Impurity C)
- 분자식
- C23H31NO7
- 분자량
- 433.49
이름 및 동의어
1076198-64-56-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-4-hexenoic acid 2-(4-morpholinyl)ethyl esterMycophenolate Mofetil (E/Z mixture)C23H31NO7Mycophenolate Mofetil (Rs-61443)NCGC00159459-02SCHEMBL218782Mycophenolate Mofetil (Mixture of E and Z Isomers)SCHEMBL29571382DTXSID80861297HMS3654P16Mycophenolate Mofetil Impurity 32
이름 더 보기
(4Z)-마이코페놀레이트모페틸(EP불순물C)EP ImpuEP IMpurity CRTGDFNSFWBGLEC-TVPGTPATSA-N(4Z)-Mycophenolate Mofetil (EP Impurity C)Mycophenolate Mofetil Impurity 3(Mycophenolate Mofetil EP Impurity C)2-(4-Morpholinyl)ethyl 6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoate2-(Morpholin-4-yl)ethyl (4Z)-6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoaye
BTB19864s1501AKOS030228217AB075602-morpholin-4-ylethyl 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoateDB-062658Q271653052-(Morpholin-4-yl)ethyl 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoate
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 94.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 646
물리화학적 성질
- 끓는 점
- 637.6 · 637.6±55.0 °C(Predicted)
- 밀도
- 1.222 · 1.222±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C · Amber Vial, -20°C Freezer
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 산도 계수 (pKa)
- 9.87 · 9.87±0.20(Predicted)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색 왁스
- 안정성
- 감광성
화학적 성질
Pale Yellow Oil
화학 및 산업
응용 분야
용도Degradation product of Mycophenolate mofetil. EP impurity C
공급사23 곳
济南百隆化学有限公司[email protected] · [email protected]
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山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
上海皓之翔生物科技有限公司（原上海拓青化工有限公司）526763801 13301653310 · [email protected]
Standardpharm Co. Ltd.86-714-3992388 · [email protected]
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