酢酸ノルエチステロン

Norethisterone Acetate

HCID 5832CAS 51-98-9

基本情報

標準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
単同位体質量
340.20384476

概要

Norethisterone Acetate (Norethindrone Acetate) can cause developmental toxicity according to state or federal government labeling requirements.

名称と識別子

優先名称
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
現地名
酢酸ノルエチステロン
英語名
19-Norethindrone acetate
分子式
C22H28O3
分子量
340.46

名称と別名

Norethindrone acetateNorethisterone acetate51-98-919-Norethindrone acetateNorlutin acetateENTANorethisteron acetate19-Norethisterone acetateNorethindrone 17-acetate19-Norethynyltestosterone acetate(17-alpha)-Norethindrone acetateNorethynyltestosterone
名称をさらに表示
酢酸ノルエチステロン酢酸ノレチステロン酢酸17α-エチニル-19-ノルテストステロン酢酸19-ノル-17α-エチニルテストステロン19-ノルエチンドロン酢酸塩酢酸ノルエチンドロン酢酸19-ノルエチンドロン酢酸ノルエチステロン (JAN)3-オキソ-17-エチニルエストラ-4-エン-17β-オールアセタートプリモルト-ノル17β-アセトキシ-17-エチニル-19-ノルアンドロスタ-4-エン-3-オン(17R)-17-アセトキシ-19-ノルプレグナ-4-エン-20-イン-3-オンノルルチン-AノルルチンAノルエチステロンアセタートノルルタートノルルチンアセタート17α-エチニル-17β-アセトキシエストラ-4-エン-3-オン17β-アセトキシ-17α-エチニルエストラ-4-エン-3-オンオルルタートAygestinsh42017-EntSH 420SH-420COrlutateprogylut
17alpha-Ethynyl-19-nortestosterone acetateDTXSID4023381Norethisterone 17-acetate17-alpha-Ethinyl-19-nortestosterone acetate17-alpha-Ethynyl-19-nortestosterone acetate9S44LIC7OJNorethindrone acetate [USP]NSC-22844

データベース識別子

CAS
51-98-9
PubChem CID
5832
DTXSID
DTXSID4023381
ChEMBL
CHEMBL1201146
ChEBI
CHEBI:7628
UNII
9S44LIC7OJ
EC Number
200-132-0
Nikkaji
J1.910K

物性

構造計算による物性

XLogP
3.5
極性表面積
43.4 Ų
水素結合供与体数
0
水素結合受容体数
3
回転可能結合数
3
重原子数
25

実験および物理化学的性質

Human Drugs · 3 件

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]

物理化学的性質

融点
161 · 161-162°
沸点
416.25 °C · 416.25°C (rough estimate)
比重(密度)
1.1236 · 1.1236 (rough estimate)
屈折率
-34 ° · -34 ° (C=1, Dioxane)
貯蔵温度
2 · 2-8°C
溶解性
水にほとんど溶けず、塩化メチレンに溶けやすく、アルコールに溶ける。

化学的性質

化学的特性White Solid

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

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%)

毒性情報

Treatment · 1 件

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 · 1 件

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 SymptomsEnterotoxins cause diarrhea. (L1780)
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

安全データ

wgk
3
rtecs
RC8965000
毒性
dlt-mus-orl 1120 mg/kg/4W MUREAV 26,535,74
hs_code
29372390
risk_code
40-48
hazard_code
Xn

化学と産業

薬理情報

Metabolism/Metabolites · 1 件

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 · 2 件

NORETHINDRONE ACETATE

Progesterone Congeners [CS]; Progestin [EPC]

MeSH Pharmacological Classification · 2 件

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.

用途と製造

UsesEnterotoxin type A is one of many enterotoxins produced by Staphylococcus aureus. (L1780)
Use ClassificationPharmaceuticals

応用分野

使用Progesteron. Norethindrone and acetate in combination with estrogen as contraceptive (oral). It is reasonably anticipated to be a human carcinogen.

一般的な説明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

上流・下流製品情報

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Shanghai Biolang Biotechnology Co., Ltd.+86-15970428662 +86-13397199602 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
Hebei shuoxi biotechnology co. LTD+8613081092107

補足説明

定義ChEBI: A 3-oxo Delta4-steroid that is norethisterone in which the hydroxy group has been converted to its acetate ester.

関連反応

4 件

関連ノート

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