Cas no 72562-60-8 (8,10-dimethyl-3,6,9,12,15-pentaoxa-21-azabicyclo[15.3.1]henicosa-1(21),17,19-triene-2,16-dione)
72562-60-8 structure
Product Name:8,10-dimethyl-3,6,9,12,15-pentaoxa-21-azabicyclo[15.3.1]henicosa-1(21),17,19-triene-2,16-dione
CAS No:72562-60-8
MF:C17H23NO7
MW:353.367025613785
CID:977331
PubChem ID:326427
Update Time:2025-04-19
8,10-dimethyl-3,6,9,12,15-pentaoxa-21-azabicyclo[15.3.1]henicosa-1(21),17,19-triene-2,16-dione Chemical and Physical Properties
Names and Identifiers
-
- 8,10-dimethyl-3,6,9,12,15-pentaoxa-21-azabicyclo[15.3.1]henicosa-1(21),17,19-triene-2,16-dione
- 3,6,9,12,15-Pentaoxa-21-azabicyclo(15.3.1)heneicosa-1(21),17,19-triene-2,16-dione, 8,10-dimethyl-
- 3,6,9,12,15-Pentaoxa-21-azabicyclo[15.3.1]heneicosa-1(21),17,19-triene-2,16-dione, 8,10-dimethyl-
- 8,10-dimethyl-3,6,9,12,15-pentaoxa-1(2,6)-pyridina-cyclohexadecaphane-2,16-dione
- AC1L6YC1
- AG-G-85854
- CTK5D6488
- NSC297848
- 8,10-Dimethyl-3,6,9,12,15-pentaoxa-21-azabicyclo(15.3.1)heneicosa-1(21),17,19-triene-2,16-dione
- DTXSID90993417
- I36SQ5WAJ3
- NSC 297848
- UNII-I36SQ5WAJ3
- 72562-60-8
- NSC-297848
-
- Inchi: 1S/C17H23NO7/c1-12-10-21-6-8-23-16(19)14-4-3-5-15(18-14)17(20)24-9-7-22-11-13(2)25-12/h3-5,12-13H,6-11H2,1-2H3
- InChI Key: DCHRBABQISIBTJ-UHFFFAOYSA-N
- SMILES: O1C(C)COCCOC(C2C=CC=C(C(=O)OCCOCC1C)N=2)=O
Computed Properties
- Exact Mass: 353.14749
- Monoisotopic Mass: 353.14745207g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 25
- Rotatable Bond Count: 0
- Complexity: 395
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.4
- Topological Polar Surface Area: 93.2?2
Experimental Properties
- PSA: 93.18
- LogP: 1.23560
8,10-dimethyl-3,6,9,12,15-pentaoxa-21-azabicyclo[15.3.1]henicosa-1(21),17,19-triene-2,16-dione Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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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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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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