노르에틴드론 아세트산
Norethisterone Acetate
기본 정보
- CAS
51-98-9- 표준 SMILES
C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C- InChIKey
IMONTRJLAWHYGT-ZCPXKWAGSA-N- 분자식
- C22H28O3
- 평균 분자량
- 340.5 g/mol
- 단동위원소 질량
- 340.20384475
개요
Norethisterone Acetate (Norethindrone Acetate) can cause developmental toxicity according to state or federal government labeling requirements.
이름 및 식별자
- 우선 이름
- Norethisterone Acetate
- IUPAC
- [(8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
- 현지명
- 노르에틴드론 아세트산
- 영어명
- 19-Norethindrone acetate
- 분자식
- C22H28O3
- 분자량
- 340.46
이름 및 동의어
Norethindrone acetateNorethisterone acetate51-98-919-Norethindrone acetateNorlutin acetateENTANorethisteron acetate19-Norethisterone acetateNorethindrone 17-acetate19-Norethynyltestosterone acetate(17-alpha)-Norethindrone acetateNorethynyltestosterone
이름 더 보기
노르에틴드론아세트산노르에틴드론아세트산Aygestinsh42017-EntSH 420SH-420COrlutateprogylut
17alpha-Ethynyl-19-nortestosterone acetateDTXSID4023381Norethisterone 17-acetate17-alpha-Ethinyl-19-nortestosterone acetate17-alpha-Ethynyl-19-nortestosterone acetate9S44LIC7OJNorethindrone acetate [USP]NSC-22844
데이터베이스 식별자
- CAS
51-98-9- PubChem CID
- 5832
- DTXSID
DTXSID4023381- ChEMBL
CHEMBL1201146
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 43.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 695
실험 및 물리화학적 성질
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Pharmaceuticals
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section186.3 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
물리화학적 성질
- 녹는점
- 161 · 161-162°
- 끓는 점
- 416.25 °C · 416.25°C (rough estimate)
- 밀도
- 1.1236 · 1.1236 (rough estimate)
- 굴절률
- -34 ° · -34 ° (C=1, Dioxane)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 물에 거의 녹지 않으며 염화메틸렌에 잘 녹고 알코올에 녹습니다.
- 물리적 상태
- Solid
- 색상
- 2 CO/헥산의 · Me2CO/헥산의 결정
- 수용성
- 3.162 mg/L · 3.162mg/L(10℃)
- Merck
- 14 · 14,6697
- 주요 응용
- 소분자 약용
- InChI
- InChI=1/C22H28O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,13,17-20H,5-12H2,2-3H3/t17-,18+,19+,20-,21-,22-/s3
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (16.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P260, P261, P263, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 115 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationHazard Traits - Developmental Toxicity
Other Safety InformationIMAP assessments - 19-Norpregn-4-en-20-yn-3-one, 17-(acetyloxy)-, (17.alpha.)-: Human health tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (16.5%)
독성 정보
Treatment
The treatment of choice for S. aureus infection is penicillin, but in most countries, penicillin-resistance is extremely common and first-line therapy is most commonly a penicillinase-resistant penicillin (for example, oxacillin or flucloxacillin). Combination therapy with gentamicin may be used to treat serious infections like endocarditis, but its use is controversial because of the high risk of damage to the kidneys. The duration of treatment depends on the site of infection and on severity. (L1773)
Health EffectsEnterotoxins are cytotoxic. (L1780)
Exposure RoutesIngestion (L1816) ; inhalation (L1816) ; dermal (L1816)
Toxicity Summary
화학 및 산업
약리 정보
Metabolism/Metabolites
Free toxin may be removed by opsonization via the reticuloendothelial system (primarily the liver and kidneys) or it may be degraded through cellular internalization via the lysosomes. Lysosomes are membrane-enclosed organelles that contain an array of digestive enzymes, including several proteases.
FDA Pharmacological Classification
NORETHINDRONE ACETATE
Progestin [EPC]; Progesterone Congeners [CS]
MeSH Pharmacological Classification
Chemical substances or agents with contraceptive activity in females. Use for female contraceptive agents in general or for which there is no specific heading.
Contraceptive agents that act on the ENDOCRINE SYSTEM.
용도 및 제조
UsesEnterotoxin type A is one of many enterotoxins produced by Staphylococcus aureus. (L1780)
Use ClassificationPharmaceuticals
응용 분야
용도Progesteron. Norethindrone and acetate in combination with estrogen as contraceptive (oral). It is reasonably anticipated to be a human carcinogen.
일반 설명Pharmaceutical secondary standards for application in quality control provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards
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