Cas no 1218-51-5 (alpha-Isoaphylline)
alpha-Isoaphylline structure
Product Name:alpha-Isoaphylline
CAS No:1218-51-5
MF:C15H24N2O
MW:248.363863945007
CID:144297
Update Time:2024-02-29
alpha-Isoaphylline Chemical and Physical Properties
Names and Identifiers
-
- 7,14-Methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-6-one,dodecahydro-, (7R,7aR,14S,14aR)-
- (7R)-1,3,4,7,7aα,8,9,10,11,13,14,14aα-Dodecahydro-7α,14α-methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-6-one
- 11-Epiaphylline
- 17-Oxo-α-isosparteine
- Epiaphylline
- α-Isoaphylline
- alpha-Isoaphylline
- i17-Oxo-alpha-Isosparteine
-
- Inchi： 1S/C15H24N2O/c18-15-12-9-11(13-5-2-4-8-17(13)15)10-16-7-3-1-6-14(12)16/h11-14H,1-10H2/t11-,12+,13+,14+/m0/s1
- InChI Key： YQMWQSMYVPLYDI-REWJHTLYSA-N
- SMILES： O=C1[C@@H]2C[C@@H](CN3CCCC[C@@H]32)[C@H]2CCCCN21
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 0
- Complexity: 356
- Topological Polar Surface Area: 23.6
alpha-Isoaphylline Related Literature
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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