Cas no 1400-48-2 (Cinchonan-9-ol,6'-methoxy-, (9S)-, mixt. with 5-ethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione(9CI))
1400-48-2 structure
Product Name:Cinchonan-9-ol,6'-methoxy-, (9S)-, mixt. with 5-ethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione(9CI)
CAS No:1400-48-2
MF:C32H36N4O5
MW:556.652048110962
CID:117660
PubChem ID:64644
Update Time:2025-04-18
Cinchonan-9-ol,6'-methoxy-, (9S)-, mixt. with 5-ethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione(9CI) Chemical and Physical Properties
Names and Identifiers
-
- Cinchonan-9-ol,6'-methoxy-, (9S)-, mixt. with 5-ethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione(9CI)
- (S)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol,5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
- Cinchonan-9-ol,6'-methoxy-, (9S)-, mixt. with 5-ethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrion...
- phenobarbital quinidine
- 19-Norlanosta-1,5,23-triene-3,11,22-trione, 25-(acetyloxy)-2-(ss- D-glucopyranosyloxy)-16,20-dihydroxy-9-methyl-, (9ss,10?,16?,23E)-
- AC1L21N5
- D08459
- Natisedine
- Natisedine (TN)
- Quinidine 5-ethyl 5-phenyl barbiturate
- Quinidine phenylethylbarbiturate
- 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-phenyl-, mixt. with (9S)-6'-methylcinchonan-9-ol
- Cinchonan-9-ol, 6'-methoxy-, (9S)-, mixt. with 5-ethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
- 1400-48-2
- (S)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
-
- Inchi： 1S/C20H24N2O2.C12H12N2O3/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;3-7H,2H2,1H3,(H2,13,14,15,16,17)/t13-,14?,19+,20-;/m0./s1
- InChI Key： YHRUERMOPBDCFD-KYNMMFKBSA-N
- SMILES： O[C@@H](C1C=CN=C2C=CC(=CC=12)OC)[C@H]1CC2CCN1C[C@@H]2C=C.O=C1C(C(NC(N1)=O)=O)(C1C=CC=CC=1)CC
Computed Properties
- Exact Mass: 556.26857026g/mol
- Monoisotopic Mass: 556.26857026g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 41
- Rotatable Bond Count: 6
- Complexity: 796
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 121?2
Cinchonan-9-ol,6'-methoxy-, (9S)-, mixt. with 5-ethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione(9CI) Related Literature
-
Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
-
Nduka Ikpo,Jenna C. Flogeras,Francesca M. Kerton Dalton Trans., 2013,42, 8998-9006
-
H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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