StartseiteMCPWorkbenchSkills
StartseiteWorkbenchBenachrichtigungenMein Bereich
Huagongshe Open Project:[email protected]KI-Anbindung: llms.txt · MCP-AnleitungDatenschutz · Nutzungsbedingungen · Supportv1.7.8
  1. Startseite
  2. /Verbindung

Norethisteron

1-Ethynyl-1-hydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta(a)phenanthren-7-one

HCID 4536
NotizenReaktionen
GrundinformationenÜberblickNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

CAS
68-22-4
Standard-SMILES
C#CC1(O)CCC2C3CCC4=CC(=O)CCC4C3CCC21C
InChIKey
VIKNJXKGJWUCNN-UHFFFAOYSA-N
Summenformel
C20H26O2
Durchschnittliche Molmasse
298,4 g/mol
Monoisotopische Masse
298,19328007

Überblick

See also: Norethindrone (annotation moved to).

Namen und Bezeichner

Bevorzugter Name
1-Ethynyl-1-hydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta(a)phenanthren-7-one
IUPAC
17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
Lokaler Name
Norethisteron
Englischer Name
Norethindrone
Summenformel
C20H26O2
Molmasse
298.43

Namen und Synonyme

DTXSID60859071RefChem:1055472DTXCID502087911-Ethynyl-1-hydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta(a)phenanthren-7-one17-Ethynyl-17-hydroxyestr-4-en-3-one(17beta)-17-ethynyl-17-hydroxyestr-4-en-3-one17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one17.alpha.-Ethinyl-19-nortestosterone17.alpha.-Ethynyl-19-nortestosterone19-Nor-17.alpha.-ethynyltestosterone17.alpha.-Ethynyl-4-estren-17-ol-3-one17.alpha.-Ethynyl-17-hydroxy-4-estren-3-one
Weitere Namen anzeigen
NORETHISTERONENETENTNorethindrone (Norethisterone)19-NORETHINDRONEElkCek6ElkhHek6EPB1
17.alpha.-Ethinylestra-4-en-17.beta.-ol-3-one17.beta.-Hydroxy-19-norpregn-4-en-20-yn-3-oneEstr-4-en-3-one, 17.alpha.-ethynyl-17-hydroxy-17.alpha.-Ethynyl-17.beta.-hydroxyestr-4-en-3-one17-Hydroxy-19-nor-17.alpha.-pregn-4-en-20-yn-3-one19-nor-17.alpha.-Ethynylandrosten-17.beta.-ol-3-one17.alpha.-Ethynyl-19-nor-4-androsten-17.beta.-ol-3-one17.alpha.-Ethynyl-19-norandrost-4-en-17.beta.-ol-3-one

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3
Polarare Oberfläche (TPSA)
37,3 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
1
Schwere Atome
22
Formalladung
0
Komplexität
594

Experimentelle und physikochemische Eigenschaften

DrugsPharmaceuticals

Physikochemische Eigenschaften

Schmelzpunkt
205 · 205-206 °C (lit.)
Siedepunkt
379.83 °C · 379.83°C (rough estimate)
Dichte
1.0766 · 1.0766 (rough estimate)
Brechungsindex
1.48 · 1.4800 (estimate)
storage temp.
2 · 2-8°C
Löslichkeit
50 mg/mL, · chloroform: ≥50 mg/mL, clear, colorless
Aggregatzustand
powder
pka
13.09 · 13.09±0.40(Predicted)
Farbe
white to off-white
Biologische Quelle
rabbit
Wasserlöslichkeit
7.043 mg/L · 7.043mg/L(25 ºC)
Merck
6697 · 6697
BRN
1915671 · 1915671

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

Sicherheitsdaten

wgk
3
ridadr
UN 3077 9 / PGIII
hs_code
29144000
RTECS-Nr.
RC8975000
risk_code
40-36/37/38-20/21/22
Toxizität
LD50 oral in mouse: 6gm/kg
hazard_code
Xn
safety_code
22-36/37/39-45-37/39-26
Speicherklasse
6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Giftige Stoffe Daten
68-22-4(Hazardous Substances Data)
Hazard Classifications
Aquatic Acute 1Aquatic Chronic 1Carc. 2Lact.Repr. 1A

Chemie und Industrie

Anwendungen · 3 Einträge

BeschreibungNorethindrone is a progestin (a synthetic substance with properties similar to progesterone) that is best known as the first female oral contraceptive, or the “pill.”Norethindrone’s global impact on society and culture has made it one of the most important inventions in history.

HistoryThe development of norethindrone as a female oral contraceptive took place indirectly over 30 years as a result of steroid research.This research accelerated in the 1930s when structures and medical applications of steroidal compounds were determined.Steroids are lipids, which include cholesterol, bile salts,and sex hormones,that are characterized by a structure of three fused six-carbon rings and a five-carbon ring. In 1957, both norethindrone and norethynodrel were approved by the Food and Drug Administration (FDA) for treating menstrual problems and infertility. In 1960, the FDA approved Searle's norethynodrel under the trade name Enovid. Norethindrone was approved as an oral contraceptive in 1962 under the trade name Ortho-Novum.

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

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

TetrahydrofuranAmmoniak, wasserfreiLithium ion (1+)KaliumAcetylenChromsureTriethylorthoformiat3-Methoxyoestra-1,3,5(10)-trien-17-onEstr-4-en-3,17-dion19-Aldoandrostenedione

Zugehörige Reaktionen

0
Reaktionsaufzeichnung erstellen

Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.

Notizen zur Verbindung

Wird geladen…

Auf dieser SeiteGrundinformationenÜberblickNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung

Datenbank-Bezeichner

CAS
68-22-4
PubChem CID
4536
DTXSID
DTXSID60859071
ChEMBL
CHEMBL4579631
Specific Activity
122 · 122-165nmol/min·mg
Henry's Law Constant
1.7 · 1.7×104 mol/(m3Pa) at 25℃, HSDB (2015)
BCS Class
1 · 1
Major Application
pharmaceutical (small molecule)
InChI
1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,15-18,22H,4-11H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1
InChIKey
VIKNJXKGJWUCNN-XGXHKTLJSA-N
SMILES
O[C@@]1([C@@]2([C@H]([C@H]3[C@@H]([C@H]4CCC(=O)C=C4CC3)CC2)CC1)C)C#C
CAS Datenbank
68 · 68-22-4(CAS DataBase Reference)
NIST chemische Informationen
Norethindrone(68-22-4)
EPA chemische Informationen
Norethisterone (68-22-4)
3-Ethoxyestra-3,5-dien-17-one
3-Methoxyestra-2,5(10)-dien-17β-ol
19-Norpregna-2,5(10)-dien-20-yn-17-ol, 3-methoxy-, (17α)- (9CI)
19-Hydroxyandrost-4-en-3,17-dion
19-Carboxyandrost-4-ene-3,17-dione
Norethindrone-3-ethyldienolether
Nandrolon

Nachgelagerte Produkte

19-Nor-17-alpha-pregna-3,5-dien-20-yne-3,17-diol, diacetate

Anbieter100 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shanghai Biolang Biotechnology Co., Ltd.+86-15970428662 +86-13397199602 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
南京兰亚化工贸易有限公司+86-25-8331-5620 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
LGM Pharma1-(800)-881-8210 · [email protected]
Syntechem Co.,Ltd[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
Hebei Qige Biological Technology Co. Ltd+86 +8618733132031
斯百全化学(上海)有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
南京生利德生物科技有限公司025-57798810 18652991625 · [email protected]
湖北鑫源顺医药化工有限公司13971561712, 13995564702, 027-50664929 · [email protected]
上海湄水化工科技有限公司021-60549325 18616193163
天津阿尔塔科技有限公司022-65378550-8551 · [email protected]
上海笛柏生物科技有限公司400-008-9730,021-54359730 400-008-9730 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
上海嵩爰化工科技有限公司010-1234567 18521000990 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
凯试(上海)科技有限公司021-50135380 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
AN PharmaTech Co Ltd86(21)68097365 · [email protected]
桦特昇生物科技(武汉)有限公司027-59207879 1972026995 18140587686 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
Wuhan Biocar Bio-Pharm Co., Ltd.86 15387057351 · [email protected]
TargetMol中国(陶术生物)021-021-33632979 15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
杭州鼎燕化工有限公司0571-87157530-8003 18049756717 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
上海缮远医药科技有限公司021-31761238 13167072949 · [email protected]
广州市齐云生物技术有限公司020-61288194 61288195 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A 17beta-hydroxy steroid that is testosterone in which the hydrogen at position 17 is replaced by an ethynyl group and in which the methyl group attached to position 10 is replaced by hydrogen.