기본 정보
- CAS
33431-38-8- 표준 SMILES
COC(=O)CC/C(C)=C/Cc1c(O)c(C)c2c(c1O)C(=O)OC2- InChIKey
ONBUUVPMBJOPQE-RUDMXATFSA-N- 분자식
- C17H20O6
- 평균 분자량
- 320.3 g/mol
- 단동위원소 질량
- 320.12598835
이름 및 식별자
- 우선 이름
- O-Desmethyl Mycophenolic Acid Methyl Ester
- IUPAC
- methyl (E)-6-(4,6-dihydroxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate
- 영어명
- 6-(4,6-DIHYDROXY-7-METHYL-3-OXO-1,3-DIHYDRO-ISOBENZOFURAN-5-YL)-4-METHYL-HEX-4-ENOIC ACID METHYL ESTER
- 분자식
- C17H20O6
- 분자량
- 320.34
이름 및 동의어
O-Desmethyl Mycophenolic Acid Methyl Ester33431-38-8methyl (E)-6-(4,6-dihydroxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoateMycophenolic Acid O-Desmethyl Methyl Ester(E)-methyl 6-(4,6-dihydroxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoate6-(4,6-DIHYDROXY-7-METHYL-3-OXO-1,3-DIHYDRO-ISOBENZOFURAN-5-YL)-4-METHYL-HEX-4-ENOIC ACID METHYL ESTERO-DesmethylMycophenolicAcidMethylEster-d3starbld0000877Mycophenolate Impurity 5CHEMBL395905Mycophenolate Mofetil Impurity 14ARD193819
이름 더 보기
OxydemethylmycophenolateGlimepiride meta-SulfonamideMycophenolate Mofetil Impurity 5DeMethylMycophenolic Acid Methyl EsterNor-O-Methyl Mycophenolic Acid Methyl Estermethyl (E)-6-(4,6-dihydroxy-7-methyl-3-oxo-1,3- dihydroisobenzofuran-5-yl)-4-methylhex-4-enoate
DB-230647HY-133778CS-0131939Methyl (4e)-6-(4,6-dihydroxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methyl-4-hexenoate
데이터베이스 식별자
- CAS
33431-38-8- PubChem CID
- 29938276
- ChEMBL
CHEMBL395905
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 93.1 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 485
물리화학적 성질
- 끓는 점
- 544.1 · 544.1±50.0 °C(Predicted)
- 밀도
- 1.291 · 1.291±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 산도 계수 (pKa)
- 8.26 · 8.26±0.20(Predicted)
화학 및 산업
응용 분야
용도Protected metabolite of Mycophenolic Acid.
상·하류 제품 정보
상류 원료
공급사30 곳
济南百隆化学有限公司[email protected] · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
深圳市简一生物科技有限公司0755-84826604 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
杭州云易国科生物科技有限公司18457506494 · [email protected]
北京康派森医药科技有限公司010-010-52878169 15801002657 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
南京熙泽医药科技有限公司025-66023220 15250997978 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
Standardpharm Co. Ltd.86-714-3992388 · [email protected]
成都大道三灵生物科技有限公司18108108965 18108108965 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
成都诺维尔生物医药有限公司028-85255396 18302801538 · [email protected]
上海瀚香生物科技有限公司17754423994 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
广州市桐晖药业有限公司020-66392521-118 18922260391 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 18012923235 · [email protected]
深圳瑞恺德生物科技有限公司0755-61348847 17820674378 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海语锌医药科技有限公司15921286451; 15921286451 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
佛山合硕医药科技有限公司15363639686 · [email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…