Epitestosterone
Grundinformationen
- CAS
481-30-1- Standard-SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2O- InChIKey
MUMGGOZAMZWBJJ-KZYORJDKSA-N- Summenformel
- C19H28O2
- Durchschnittliche Molmasse
- 288,4 g/mol
- Monoisotopische Masse
- 288,20893013
Überblick
Epitestosterone is an androstanoid that is the C-17 epimer of testosterone. It has a role as an androgen antagonist and a human metabolite. It is a 17alpha-hydroxy steroid, a 3-oxo-Delta(4) steroid and an androstanoid.
Namen und Bezeichner
- Bevorzugter Name
- Epitestosterone
- IUPAC
- (8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
- Englischer Name
- Epitestosterone
- Summenformel
- C19H28O2
- Molmasse
- 288.42
Namen und Synonyme
Epitestosterone481-30-1Isotestosteronecis-Testosterone17-Epitestosterone17alpha-Hydroxyandrost-4-en-3-one17-alpha-Testosterone17alpha-Testosterone17alpha-cis-TestosteroneDTXSID802232917-alpha-Hydroxyandrost-4-en-3-one(17-alpha)-17-Hydroxyandrost-4-en-3-one
Weitere Namen anzeigen
epi-Testosterone (CRM)17ALPHA-HYDROXY-4-ANDROSTEN-3-ONEEpitesterone17a-testosteroneTestosterone, cis-
NSC-26499(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-oneAndrost-4-en-3-one, 17-hydroxy-, (17alpha)-DTXCID00232948L726977ZCHEBI:4253417 alpha Testosterone(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta(a)phenanthren-3-one
Datenbank-Bezeichner
- CAS
481-30-1- PubChem CID
- 10204
- DTXSID
DTXSID8022329- ChEMBL
CHEMBL196228- ChEBI
CHEBI:42534- UNII
- 48L726977Z
- EC Number
- 641-984-7
- Nikkaji
- J12.325K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,3
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 21
- Formalladung
- 0
- Komplexität
- 508
Experimentelle und physikochemische Eigenschaften
Chemical ClassesHormone
DrugsPharmaceuticals -> Listed in ZINC15
LipidsLipids -> Sterol Lipids [ST] -> Steroids [ST02] -> C19 steroids (androgens) and derivatives [ST0202]
SpringerMaterials PropertiesChemical shift
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionSolid
Collision Cross Section
194.13 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
170.7 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
172.45 Ų [M+H]+
Physikochemische Eigenschaften
- Schmelzpunkt
- 218 · 218-220C
- Siedepunkt
- 432.9 · 432.9±45.0 °C(Predicted)
- Dichte
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- Flammpunkt
- 2 ℃ · 2℃
- storage temp.
- Refrigerator
- Löslichkeit
- Chloroform (Slightly), Ethanol (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- 15.06 · 15.06±0.60(Predicted)
- Farbe
- White to Pale Yellow
- Major Application
- clinical testing
- InChI
- 1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17+,18-,19-/m0/s1
- InChIKey
- MUMGGOZAMZWBJJ-KZYORJDKSA-N
- SMILES
- C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@H]2O
- CAS Datenbank
- 481 · 481-30-1(CAS DataBase Reference)
- NIST chemische Informationen
- 17 Alpha-hydroxyandrost-4-en-3-one · 17Alpha-hydroxyandrost-4-en-3-one(481-30-1)
- EPA chemische Informationen
- -4 · Androst-4-en-3-one, 17-hydroxy-, (17.alpha.)- (481-30-1)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H300 (33.3%): Fatal if swallowed [Danger Acute toxicity, oral]
P203, P264, P270, P273, P280, P301+P316, P301+P317, P318, P321, P330, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 1 (33.3%)
Toxikologische Informationen
USGS Health-Based Screening Levels for Evaluating Water-Quality
Epitestosterone
Hormone
Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 1648 3 / PGII
- hs_code
- 2937290000
- RTECS-Nr.
- BV8395600
- risk_code
- 68-36-20/21/22-11
- hazard_code
- Xn,F
- safety_code
- 22-36-36/37-16
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 2
Chemie und Industrie
Pharmakologische Informationen
Metabolism/MetabolitesEpitestosterone has known human metabolites that include Epitestosterone O-glucuronide.
Tissue LocationsAdrenal Gland
Cellular LocationsExtracellular
Anwendungen
VerwendenTestosterone and epitestosterone are endogenous steroids that differ in the configuration of the hydroxyl-bearing carbon at C-17. epitestosterone is largely unclear.
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
Anbieter34 Anbieter
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
廊坊市恒福源医药科技有限公司0316-2883537 19333636468 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
广州紫芯生物科技有限公司19519577873
上海维亦特生物科技有限公司15317051735 · [email protected]
廊坊市泽康医药科技有限公司0316-2883536 19333636468 · [email protected]
斯百全化学（上海）有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
珠海安哲生物科技有限公司13169972583 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Standardpharm Co. Ltd.86-714-3992388 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
湖北万业众诚化学试剂有限责任公司18671296875 · [email protected]
曼哈格（上海）生物科技有限公司400-818 0104 18918165978 · [email protected]
深圳市祥根生物医药有限公司0755-28967200 13631290199 · [email protected]
上海泰坦科技股份有限公司13023226327 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
上海朗旭生物科技有限公司+86-021-50800795 13816874662 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
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铭龙（咸宁）医药有限公司186-7296-9259 18771307593 · [email protected]
上海智溯科生物科技有限公司021-58056897 15399714481 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]
南京世洲生物科技有限公司18351873721 · [email protected]
湖北清北云研医药科技有限责任公司18162595016; 18162595016 · [email protected]
Ergänzende Hinweise
DefinitionChEBI: An androstanoid that is the C-17 epimer of testosterone.
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