Cas no 72517-83-0 (1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione,4-ethyl-4-hydroxy-, sodium salt, (S)-)
72517-83-0 structure
Product Name:1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione,4-ethyl-4-hydroxy-, sodium salt, (S)-
CAS No:72517-83-0
MF:C20H16N2NaO4
MW:371.341815948486
CID:2697923
PubChem ID:153546
Update Time:2024-03-01
1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione,4-ethyl-4-hydroxy-, sodium salt, (S)- Chemical and Physical Properties
Names and Identifiers
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- AC1L4AL4
- 1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione,4-ethyl-4-hydroxy-, sodium salt, (
- 1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione,4-ethyl-4-hydroxy-, sodium salt, (S)-
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- Inchi： 1S/C20H16N2O4.Na/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24;/h3-8,25H,2,9-10H2,1H3;/q;+1/t20-;/m0./s1
- InChI Key： LHWKDZMDQGOJOS-BDQAORGHSA-N
- SMILES： [Na+].O1C([C@](CC)(C2C=C3C4C(=CC5C=CC=CC=5N=4)CN3C(C=2C1)=O)O)=O
Computed Properties
- Exact Mass: 371.10077628g/mol
- Monoisotopic Mass: 371.10077628g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 27
- Rotatable Bond Count: 1
- Complexity: 742
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 79.7
1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione,4-ethyl-4-hydroxy-, sodium salt, (S)- Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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Richa Sardessai,Shobhana Krishnaswamy,Mysore S. Shashidhar CrystEngComm, 2012,14, 8010-8016
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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