노르에틴드론 아세트산

Norethisterone Acetate

HCID 5832CAS 51-98-9

기본 정보

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
340.20384476

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
ChEBI
CHEBI:7628
UNII
9S44LIC7OJ
EC Number
200-132-0
Nikkaji
J1.910K

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

실험 및 물리화학적 성질

Human Drugs · 3건

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.

화학적 성질

White Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

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 · 1건

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 · 1건

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).

안전 데이터

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

화학 및 산업

약리 정보

Metabolism/Metabolites · 1건

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 · 2건

NORETHINDRONE ACETATE

Progesterone Congeners [CS]; Progestin [EPC]

MeSH Pharmacological Classification · 2건

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

상·하류 제품 정보

공급사50 곳

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

추가 설명

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

관련 반응

4건

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