기본 정보
- CAS
22252-38-6- 표준 SMILES
C[C@H]1C[C@@H]2[C@H]([C@@H](O)C[C@@]3(C)[C@H]2CC[C@]3(O)C(=O)COP(=O)(O)O)[C@@]2(C)C=CC(=O)C=C12- InChIKey
PWTIEVRZANUUHG-PJHHCJLFSA-N- 분자식
- C22H31O8P
- 평균 분자량
- 454.4 g/mol
- 단동위원소 질량
- 454.17565494
이름 및 식별자
- 우선 이름
- 11beta,17,21-Trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione 21-(dihydrogen phosphate)
- IUPAC
- [2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] dihydrogen phosphate
- 영어명
- 11beta,17,21-trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione 21-(dihydrogen phosphate)
- 분자식
- C22H31O8P
- 분자량
- 454.45
이름 및 동의어
22252-38-6Methylprednisolone 21-(dihydrogen phosphate)11beta,17,21-Trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione 21-(dihydrogen phosphate)1D9M23IY4YMethylprednisolone Phosphoric Acidmethylprednisolone dihydrogen phosphateEINECS 244-869-6UNII-1D9M23IY4YCHEMBL2111028SCHEMBL17131135DTXSID30944908METHYLPREDNISOLONE 21-PHOSPHATE
이름 더 보기
Methylprednisolone phosphate11β,17-Dihydroxy-6α-methyl-21-phosphonooxypregna-1,4-diene-3,20-dionePregna-1,4-diene-3,20-dione, 11,17-dihydroxy-6-methyl-21-(phosphonooxy)-, (6α,11β)-
Q2725227111,17-Dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-yl dihydrogen phosphate11beta,17-Dihydroxy-6alpha-methyl-3,20-dioxopregna-1,4-dien-21-yl dihydrogen phosphatePREGNA-1,4-DIENE-3,20-DIONE, 11,17-DIHYDROXY-6-METHYL-21-(PHOSPHONOOXY)-, (6.ALPHA.,11.BETA.)-PREGNA-1,4-DIENE-3,20-DIONE, 11.BETA.,17,21-TRIHYDROXY-6.ALPHA.-METHYL-, 21-(DIHYDROGEN PHOSPHATE)
물성
구조 계산 물성
- XLogP
- 0.3
- 극성 표면적
- 141 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 920
실험 및 물리화학적 성질
Endocrine DisruptorsPotential endocrine disrupting compound
화학 및 산업
응용 분야
용도Glucocorticoid.
공급사1 곳
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