Levonorgestrel EP Impurity B
Grundinformationen
- CAS
1095-74-5- Standard-SMILES
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(CCC(=O)C4)[C@H]3CC[C@@]21CC- InChIKey
QCMLVDXPKCBMFQ-MJCUULBUSA-N- Summenformel
- C21H28O2
- Durchschnittliche Molmasse
- 312,4 g/mol
- Monoisotopische Masse
- 312,20893013
Namen und Bezeichner
- Bevorzugter Name
- Levonorgestrel EP Impurity B
- IUPAC
- (8R,9S,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
- Englischer Name
- 13-Ethyl-17-hydroxy-18,19-dinorpregn-5(10)-en-20-yn-3-one
- Summenformel
- C21H28O2
- Molmasse
- 312.45
Namen und Synonyme
19914-67-1Levonorgestrel EP Impurity BLevonorgestrel Impurity BE8SU3M53QVUNII-E8SU3M53QVLevonoregestrel impurity B [EP]13-Ethyl-17-hydroxy-18,19-dinor-17alpha-pregn-5(10)-en-20-yn-3-one13-Ethyl-17-hydroxy-18,19-dinor-17a-pregn-5(10)-en-20-yn-3-one(Levo Norgestrel Impurity)(8R,9S,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one(17alpha)-13-Ethyl-17-hydroxy-18,19-dinorpregn-5(10)-en-20-yn-3-one18,19-Dinorpregn-5(10)-en-20-yn-3-one, 13-ethyl-17-hydroxy-, (17alpha)-(8R,9S,13S,14S,17R)-13-Ethyl-17-ethynyl-17-hydroxy-4,6,7,8,9,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one
Weitere Namen anzeigen
Levonorgestrel EP IMP BEP Levonorgestrel Impurity B13-Ethyl-17a-ethynyl-17-hydroxygon-5(10)-en-3-one13-Ethyl-17α-ethynyl-17-hydroxygon-5(10)-en-3-one17-Ethinyl-17-hydroxy-18-methylestr-5(10)-en-3-oneLevonorgestrel Impurity 2（Levonorgestrel EP Impurity B）13-Ethyl-17-hydroxy-18,19-dinorpregn-5(10)-en-20-yn-3-one13-ethyl-17-hydroxy-18,19-dinor-17α-pregn-5(10)-en-20-yn-3-one13-ethyl-17-hydroxy-18,19-dinor-17a-pregn-5(10)-en-20-yn-3-one
1095-74-5QCMLVDXPKCBMFQ-MJCUULBUSA-N(17a)-13-ethyl-17-hydroxy-18,19-Dinorpregn-5(10)-en-20-yn-3-one; 18,19-Dinor-17a-pregn-5(10)-en-20-yn-3-one, 13-ethyl-17-hydroxy- (7CI,8CI); 13-Ethyl-17a-ethynyl-17-hydroxygon-5(10)-en-3-one; Levonorgestrel Imp. B (EP)13-Ethyl-17-hydroxy-18,19-dinor-17Alpha-pregn-5(10)-en-20-yn-3-one(Levo Norgestrel Impurity)Norgestrel Impurity 7UCL9B6Y5RBLevonorgestrel impurity B CRSSCHEMBL11856287
Datenbank-Bezeichner
- CAS
1095-74-5、19914-67-1- PubChem CID
- 29979902
- DTXSID
DTXSID80652581- UNII
- E8SU3M53QV、UCL9B6Y5RB
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,5
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 23
- Formalladung
- 0
- Komplexität
- 621
Physikochemische Eigenschaften
- Schmelzpunkt
- 169 · 169-171C
- Siedepunkt
- 454 · 454.0±45.0 °C(Predicted)
- Dichte
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- storage temp.
- Refrigerator
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 13.1 · 13.10±0.40(Predicted)
- Major Application
- pharmaceutical (small molecule)
- InChI
- 1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,17-19,23H,3,5-13H2,1H3/t17-,18-,19+,20+,21+/m1/s1
- InChIKey
- QCMLVDXPKCBMFQ-MJCUULBUSA-N
- SMILES
- O[C@@]1([C@@]2([C@H]([C@H]3[C@H](CC2)C4=C(CC3)CC(=O)CC4)CC1)CC)C#C
Chemie und Industrie
Anwendungen
VerwendenEP Levonorgestrel impurity B
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Zugehörige Reaktionen
2
Notizen zur Verbindung
Wird geladen…