Cas no 128549-99-5 (Benzamide,N-(20-amino-4-hydroxy-4,8,12,17-tetraazaeicos-1-yl)-2,5-dihydroxy-)
128549-99-5 structure
Product Name:Benzamide,N-(20-amino-4-hydroxy-4,8,12,17-tetraazaeicos-1-yl)-2,5-dihydroxy-
CAS No:128549-99-5
MF:C23H44N6O4
MW:468.6332654953
CID:232255
PubChem ID:182910
Update Time:2025-04-19
Benzamide,N-(20-amino-4-hydroxy-4,8,12,17-tetraazaeicos-1-yl)-2,5-dihydroxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzamide,N-(20-amino-4-hydroxy-4,8,12,17-tetraazaeicos-1-yl)-2,5-dihydroxy-
- N-[3-[3-[3-[4-(3-aminopropylamino)butylamino]propylamino]propyl-hydroxyamino]propyl]-2,5-dihydroxybenzamide
- Benzamide, N-(20-amino-4-hydroxy-4,8,12,17-tetraazaeicos-1-yl)-2,5-dihydroxy-
- alpha-Agatoxin AG 468
- Agel 468
- 128549-99-5
- DTXSID60155924
-
- Inchi： 1S/C23H44N6O4/c24-9-3-12-25-10-1-2-11-26-13-4-14-27-15-5-17-29(33)18-6-16-28-23(32)21-19-20(30)7-8-22(21)31/h7-8,19,25-27,30-31,33H,1-6,9-18,24H2,(H,28,32)
- InChI Key： QBHKCXPTYJQDLE-UHFFFAOYSA-N
- SMILES： ON(CCCNC(C1C=C(C=CC=1O)O)=O)CCCNCCCNCCCCNCCCN
Computed Properties
- Exact Mass: 468.34272
- Monoisotopic Mass: 468.34240391g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 8
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 33
- Rotatable Bond Count: 21
- Complexity: 474
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.5
- Topological Polar Surface Area: 155?2
Experimental Properties
- PSA: 155.14
Benzamide,N-(20-amino-4-hydroxy-4,8,12,17-tetraazaeicos-1-yl)-2,5-dihydroxy- Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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