CAS 58652-20-3 Nomegestrol Acetate (HCID 91668)

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기본 정보

CAS: 58652-20-3
표준 SMILES: CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C
InChIKey: IIVBFTNIGYRNQY-YQLZSBIMSA-N
분자식: C23H30O4
평균 분자량: 370.5 g/mol
단동위원소 질량: 370.21440943

개요

Nomegestrol acetate is a corticosteroid hormone.

이름 및 식별자

우선 이름: Nomegestrol Acetate
IUPAC: [(8S,9S,10R,13S,14S,17R)-17-acetyl-6,13-dimethyl-3-oxo-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
영어명: Nomegestrol 17-acetate
분자식: C23H30O4
분자량: 370.48

이름 및 동의어

Nomegestrol acetate58652-20-3NOMACTX 066TX-06619-Norpregna-4,6-diene-3,20-dione, 17-(acetyloxy)-6-methyl-ORG 10486-0ORG-10486-017-alpha-Acetoxy-6-methyl-19-nor-4,6-pregnadiene-3,20-dione83J78V5W0517-alpha-Hydroxy-6-methyl-19-norpregna-4,6-diene-3,20-dione acetate(1R,3aS,3bS,9aR,9bS,11aS)-1-acetyl-5,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl acetate

이름 더 보기

tx066CS-839LutenylSurplantUniplantMELEGESTROL ACETATENomegsetrol acetate

DTXSID902073496-METHYL-3,20-DIOXO-19-NORPREGNA-4,6-DIEN-17-YL ACETATE17-ACETOXY-6-METHYL-19-NORPREGN-4,6-DIEN-3,20-DIONE(1R,3aS,3bS,9aR,9bS,11aS)-1-acetyl-5,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta(a)phenanthren-1-yl acetateRefChem:854427DTXCID40129840261-379-8Zoely

데이터베이스 식별자

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 60.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 27
형식 전하: 0
복잡도: 775

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

Human DrugsEMA approved medicines: Human medicine

Endocrine DisruptorsPotential endocrine disrupting compound

물리화학적 성질

끓는 점: 507.3 · 507.3±50.0 °C(Predicted)
밀도: 1.16 · 1.16±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: 7 mg/mL · 용해됨 DMSO: ≥7mg/mL
물리적 상태: 가루
색상: 흰색에서 황갈색까지
InChIKey: IIVBFTNIGYRNQY-YQLZSBIMSA-N
SMILES: C1(=O)C=C2[C@]([H])(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@](OC(C)=O)(C(=O)C)CC3)C=C2C

화학적 성질

White or almost white, crystalline powder.

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 3% (2 of 66) of reports.

Danger

H360F (25.8%): May damage fertility [Danger Reproductive toxicity]

P203, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 66 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesRepr. 1A (25.8%)

안전 데이터

wgk: 3
rtecs: RC8899200
ridadr: UN 3077 9 / PGIII
risk_code: 63-50
hazard_code: N
safety_code: 61

화학 및 산업

응용 분야

용도Nomegestrol 17-acetate is a progetin used in implantable hormone replacement therapies.

공급사79 곳

上海宇之诚医药科技有限公司13361818591 · [email protected]

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

화합물 노트

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