Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
노르에틴드론 아세트산
노르에틴드론아세트산 · NORETHISTERONE ACETATE · NORETHINDRONE ACETATE · ENTA · Aygestin · sh420 · 17-Ent · SH 420
식별자 및 물리적 특성
| CAS No. | 51-98-9 |
|---|---|
| 분자식 | C22H28O3 |
| 평균 분자량 | 340.5 g/mol |
| 단동위원소 질량 | 340.20384476 g/mol |
| 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 |
| PubChem CID | 5832 |
| ChEMBL | CHEMBL1201146 |
| ChEBI | CHEBI:7628 |
| EC No. | 200-132-0 |
| DTXSID | DTXSID4023381 |
| 현지명 | 노르에틴드론 아세트산 |
화학 및 물리적 성질
| XLogP | 3.5 |
|---|---|
| 극성 표면적 | 43.4 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 25 |
| 형식 전하 | 0 |
| 복잡도 | 695 |
| Human Drugs | FDA approved drugs -> Active ingredientPharmaceuticals |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Collision Cross Section | 186.3 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
| 녹는점 | 161-162° |
| 끓는 점 | 416.25°C (rough estimate) |
| 밀도 | 1.1236 (rough estimate) |
| 굴절률 | -34 ° (C=1, Dioxane) |
| 저장 조건 | 2-8°C |
| 용해도 | 물에 거의 녹지 않으며 염화메틸렌에 잘 녹고 알코올에 녹습니다. |
| 물리적 상태 | Solid |
| 색상 | Me2CO/헥산의 결정 |
| 용해도 | 3.162mg/L(10℃) |
| Merck | 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 |
| InChIKey | IMONTRJLAWHYGT-ZCPXKWAGSA-N |
| SMILES | C[C@]12CC[C@]3([H])[C@@]4([H])CCC(=O)C=C4CC[C@@]3([H])[C@]1([H])CC[C@]2(C#C)OC(=O)C |&1:1,4,6,16,18,22,r| |
| NIST | Norethindrone acetate(51-98-9) |
화학적 성질
White Solid
안전 및 규제
| GHS 분류 | DangerH302 (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. |
|---|---|
| 규제 정보 | Hazard Traits - Developmental Toxicity |
| 기타 안전 정보 | IMAP assessments - 19-Norpregn-4-en-20-yn-3-one, 17-(acetyloxy)-, (17.alpha.)-: Human health tier I assessment |
| Hazard Classes and Categories | Acute Tox. 4 (16.5%) |
| 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) |
| 건강 영향 | Enterotoxins are cytotoxic. (L1780) |
| 노출 경로 | Ingestion (L1816)inhalation (L1816)dermal (L1816) |
| 독성 요약 | The action of enterotoxins leads to increased chloride ion permeability of the apical membrane of intestinal mucosal cells. These membrane pores are activated by either increased cAMP or by increased calcium ion concentration intracellularly. The pore formation has a direct effect on the osmolarity of the luminal contents of the intestines. Increased chloride permeability leads to leakage into the lumen followed by sodium and water movement. This leads to a secretory diarrhea within a few hours of ingesting enterotoxin. (L1780) |
| Signs and Symptoms | Enterotoxins cause diarrhea. (L1780) |
| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
| Drug Induced Liver Injury | Drug Induced Liver Injury Rank (DILIrank 2.0)Norethindrone acetatevNo-DILI-concernNo matchDOI:10.1016/j.drudis.2016.02.015 |
| 수질 위해 등급(WGK) | 3 |
| RTECS 번호 | RC8965000 |
| 독성 | dlt-mus-orl 1120 mg/kg/4W MUREAV 26,535,74 |
| 관세 코드 | 29372390 |
| 위험 문구(R) | 40-48 |
| 위험 표시 | Xn |
| 안전 문구(S) | 36/37 |
| 기존화학 물질 | KE-20747 |
| 위험 등급 | Aquatic Acute 1Aquatic Chronic 1Carc. 2Lact.Repr. 1A |
| 저장 분류 | 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects |
용도
용도
Progesteron. Norethindrone and acetate in combination with estrogen as contraceptive (oral). It is reasonably anticipated to be a human carcinogen.
일반 설명
Pharmaceutical 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