기본 정보
- CAS
579484-30-3- 표준 SMILES
COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]2(O)CCC(=O)O)[C@H]13- InChIKey
XNSDIIWFWKXZBT-VWBFHTRKSA-N- 분자식
- C24H32O7
- 평균 분자량
- 432.5 g/mol
- 단동위원소 질량
- 432.21480336
개요
Eplerenone hydroxy acid is an oxacycle.
이름 및 식별자
- 우선 이름
- SC-70303 free acid
- IUPAC
- 3-[(1R,2S,9R,10R,11S,14R,15S,17R)-14-hydroxy-9-methoxycarbonyl-2,15-dimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-en-14-yl]propanoic acid
- 영어명
- Eplerenone Impurity 13(Eplerenone EP Impurity F)
- 분자식
- C24H32O7
- 분자량
- 432.51
이름 및 동의어
SC-70303 free acid579484-30-3Eplerenone hydroxyacidEplerenone EP Impurity FUNII-0M9Z8RMG830M9Z8RMG833-[(1R,2S,9R,10R,11S,14R,15S,17R)-14-hydroxy-9-methoxycarbonyl-2,15-dimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-en-14-yl]propanoic acidPregn-4-ene-7,21-dicarboxylic acid, 9,11-epoxy-17-hydroxy-3-oxo-, 7-methyl ester, (7alpha,11alpha,17alpha)-3-((4aS,4bR,5aR,6aS,7R,9aS,9bR,10R)-7-hydroxy-10-(methoxycarbonyl)-4a,6a-dimethyl-2-oxo-2,3,4,4a,5a,6,6a,7,8,9,9a,9b,10,11-tetradecahydrocyclopenta[1,2]phenanthro[4,4a-b]oxiren-7-yl)propanoic acidEplerenone hydroxy acidSCHEMBL3275715CHEBI:191040
이름 더 보기
Eplerenone Impurity FPregn-4-ene-7,21-dicarboxylic acid, 9,11-epoxy-17-hydroxy-3-oxo-, 7-methyl ester, (7α,11α,17α)-
EPLERENONE IMPURITY F [EP IMPURITY]Q272369657-METHYL (7.ALPHA.,11.ALPHA.,17.ALPHA.)-9,11-EPOXY-17-HYDROXY-3-OXOPREGN-4-ENE-7,21-DICARBOXYLATE9,11.ALPHA.-EPOXY-17-HYDROXY-7.ALPHA.-(METHOXYCARBONYL)-3-OXO-17.ALPHA.-PREGN-4-ENE-21-CARBOXYLIC ACIDPREGN-4-ENE-7,21-DICARBOXYLIC ACID, 9,11-EPOXY-17-HYDROXY-3-OXO-, 7-METHYL ESTER, (7.ALPHA.,11.ALPHA.,17.ALPHA.)-
데이터베이스 식별자
- CAS
579484-30-3- PubChem CID
- 9869347
- ChEBI
CHEBI:191040- UNII
- 0M9Z8RMG83
- Nikkaji
- J1.892.591E
물성
구조 계산 물성
- XLogP
- 1.1
- 극성 표면적
- 113 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 894
물리화학적 성질
- 끓는 점
- 619.1 · 619.1±55.0 °C(Predicted)
- 밀도
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.74 · 4.74±0.10(Predicted)
화학 및 산업
공급사19 곳
济南百隆化学有限公司[email protected] · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
深圳市简一生物科技有限公司0755-84826604 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
大赛璐药物手性技术（上海）有限公司021-50460086-9 15921403865 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
南京库维诺思医药科技有限公司17853099917 · [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]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [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]
深圳菲斯生物科技有限公司0755-4000505016 13380397412 · [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]
常州翔龙医药科技有限公司18661161657 · [email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…