기본 정보
- CAS
74513-62-5- 표준 SMILES
C[C@H](O)C(=O)[C@@]1(C)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3CC[C@@]21C- InChIKey
JUNDJWOLDSCTFK-MTZCLOFQSA-N- 분자식
- C22H30O3
- 평균 분자량
- 342.5 g/mol
- 단동위원소 질량
- 342.21949481
개요
Trimegestone is a 20-oxo steroid.
이름 및 식별자
- 우선 이름
- Trimegestone
- IUPAC
- (8S,13S,14S,17S)-17-[(2S)-2-hydroxypropanoyl]-13,17-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
- 현지명
- 석회암
- 영어명
- Trimegestone
- 분자식
- C22H30O3
- 분자량
- 342.48
이름 및 동의어
Trimegestone74513-62-5RU 27987TrimegestonaRu-2798721-hydroxypromegestonetrimegestonum4658K0H08WRU 27988DTXSID20131799517-(2-hydroxy-1-oxopropyl)-17-methylestra-4,9-dien-3-oneEstra-4,9-dien-3-one, 17-(2-hydroxy-1-oxopropyl)-17-methyl-, (17beta(S))-
이름 더 보기
석회암TRIMEBUTINEMALEATETrimegestone-C13-D3Trimegestone USP/EP/BP74513-62-5 Trimegestone17β-[(S)-2-Hydroxy-1-oxopropyl]-17α-methylestra-4,9-dien-3-oneEstra-4,9-dien-3-one,17-[(2S)-2-hydroxy-1-oxopropyl]-17-Methyl-, (17b)-Estra-4,9-dien-3-one, 17-[(2S)-2-hydroxy-1-oxopropyl]-17-methyl-, (17β)-8S,13S,14S,17S)-17-[(2S)-2-Hydroxypropanoyl]-13,17-diMethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclop
RefChem:899715DTXCID701747787(10S,11S,14S,15S)-14-((2S)-2-hydroxypropanoyl)-14,15-dimethyltetracyclo(8.7.0.0^(2,7).0^(11,15))heptadeca-1,6-dien-5-oneTotelle Sekvens, Ondeva17beta-(S)-Lactoyl-17-methylestra-4,9-dien-3-one(8S,13S,14S,17S)-17-[(2S)-2-hydroxypropanoyl]-13,17-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one(17beta)-17-[(2S)-2-Hydroxy-1-oxopropyl]-17-methylestra-4,9-dien-3-oneTrimegestone [INN]
물성
구조 계산 물성
- XLogP
- 2.6
- 극성 표면적
- 54.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 700
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
Endocrine DisruptorsPotential endocrine disrupting compound
물리화학적 성질
- 끓는 점
- 522.6 · 522.6±50.0 °C(Predicted)
- 밀도
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 13.04 · 13.04±0.20(Predicted)
- 물리적 상태
- 고체
안전 및 규제
GHS 분류
GHS Classification
Warning
H319 (95%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesEye Irrit. 2 (95%)
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H319
화학 및 산업
응용 분야
용도Trimegestone causes an increased risk for uterine sarcomas and endometrial cancers with prolonged use. Used in hormone replacement therapies and the treatment of post-menopausal diseases.
일반 설명Trimegestone, 17β-(S)-lactoyl-17-methyl-estra-4,9-dien-3-one, is a highly modified norprogesteronederivative. The key structural differences are a17β-lactoyl group in place of the typical acetyl group, a17α-methyl, and a C9-C10 double bond. Trimegestonelacks androgenic action and has little to no affinity for theER and GR. Although already approved for treating HRTin Sweden in combination with estradiol, it is still in developmentin the United States for its use in HRT and as a componentof oral contraceptives.
공급사36 곳
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