基本信息
- 标准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- 分子式
- C22H28O3
- 平均分子量
- 340.5 g/mol
- 单同位素质量
- 340.20384476
概述
Norethisterone Acetate (Norethindrone Acetate) can cause developmental toxicity according to state or federal government labeling requirements.
名称与标识
- 首选名称
- 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
- 中文名
- 炔诺酮醋酸酯
- 英文名
- 19-Norethindrone acetate
- 分子式
- C22H28O3
- 分子量
- 340.46
名称与别名
展开更多名称
数据库标识
- CAS
51-98-9- PubChem CID
- 5832
- DTXSID
DTXSID4023381- ChEMBL
CHEMBL1201146- ChEBI
CHEBI:7628- UNII
- 9S44LIC7OJ
- EC Number
- 200-132-0
- Nikkaji
- J1.910K
性质
结构计算性质
- XLogP
- 3.5
- 极性表面积
- 43.4 Ų
- 氢键供体
- 0
- 氢键受体
- 3
- 可旋转键
- 3
- 重原子
- 25
- 形式电荷
- 0
- 复杂度
- 695
实验与物化性质
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Pharmaceuticals
物理化学性质
- 熔点
- 161 · 161-162°
- 沸点
- 416.25 °C · 416.25°C (rough estimate)
- 密度
- 1.1236 · 1.1236 (rough estimate)
- 折射率
- -34 ° · -34 ° (C=1, Dioxane)
- 储存条件
- 2 · 2-8°C
- 溶解度
- Practically insoluble in water, freely soluble in methylene chloride, soluble in alcohol.
- 形态
- Solid
- 颜色
- 2 CO/hexane · Crystals from Me2CO/hexane
- 水溶解性
- 3.162 mg/L · 3.162mg/L(10 ºC)
- Merck
- 14 · 14,6697
- 主要应用
- pharmaceutical small molecule
- 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|
- CAS 数据库
- 51 · 51-98-9(CAS DataBase Reference)
- NIST化学物质信息
- Norethindrone acetate(51-98-9)
安全与法规
GHS分类
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.
危害信息
毒理信息
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)
Toxicity Summary
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)
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Norethindrone acetate
vNo-DILI-concern
0
No match
DOI:10.1016/j.drudis.2016.02.015
安全数据
- wgk
- 3
- 毒性
- dlt-mus-orl 1120 mg/kg/4W MUREAV 26,535,74
- RTECS号
- RC8965000
- 存储类别
- 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects
- 安全说明
- 36/37
- 海关编码
- 29372390
- 危险品标志
- Xn
- 危险性类别
- Aquatic Acute 1Aquatic Chronic 1Carc. 2Lact.Repr. 1A
- 危险类别码
- 40-48
化学与工业
药理信息
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
Progesterone Congeners [CS]; Progestin [EPC]
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.
用途与制造
应用领域
简介炔诺酮醋酸酯是一种雌性激素,可用作孕激素类药,用于月经不调、子宫功能性出血、子宫内膜异位症等。
用途孕激素类药,用于月经不调、子宫功能性出血、子宫内膜异位症等。
上下游产品信息
上游原料
试剂价格
- HY-B1710R · 10 mg
- 炔诺酮醋酸酯Norethindrone acetate (Standard) — 250元
- HY-B1710R · 25 mg
- 炔诺酮醋酸酯Norethindrone acetate (Standard) — 440元
供应商50 家
相关反应
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