Cas no 73600-92-7 (Tetrodotoxin,11-[(5-amino-1-carboxypentyl)amino]-11-deoxy-, labeled with tritium, [11(S)]-(9CI))
![Tetrodotoxin,11-[(5-amino-1-carboxypentyl)amino]-11-deoxy-, labeled with tritium, [11(S)]-(9CI) structure](https://ossimg.kuujia.com/scimg/74000/73600-92-7x500.png)
73600-92-7 structure
Product Name:Tetrodotoxin,11-[(5-amino-1-carboxypentyl)amino]-11-deoxy-, labeled with tritium, [11(S)]-(9CI)
CAS No:73600-92-7
MF:C17H29N5O9
MW:447.440264463425
CID:579743
PubChem ID:156019
Update Time:2025-04-19
Tetrodotoxin,11-[(5-amino-1-carboxypentyl)amino]-11-deoxy-, labeled with tritium, [11(S)]-(9CI) Chemical and Physical Properties
Names and Identifiers
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- Tetrodotoxin,11-[(5-amino-1-carboxypentyl)amino]-11-deoxy-, labeled with tritium, [11(S)]-(9CI)
- [11(S)]-11-[(5-Amino-1-carboxypentyl)amino]-11-deoxytetrodotoxin labeled with tritium
- 73600-92-7
- (3H)-Lysine-tetrodotoxin
- Tetrodotoxin, 11-((5-amino-1-carboxypentyl)amino)-11-deoxy-, labeled with tritium, (11(S))-
-
- Inchi： 1S/C17H29N5O9/c18-4-2-1-3-6(12(25)26)20-5-15(28)9-7-11(24)21-14(19)22-16(7)8(23)10(15)31-17(29,30-9)13(16)27/h6-11,13,20,23-24,27-29H,1-5,18H2,(H,25,26)(H3,19,21,22)
- InChI Key： HWSLFZJGCNRKJA-UHFFFAOYSA-N
- SMILES： O1C2(C(C34C(C(C(CNC(C(=O)O)CCCCN)(C1C3C(N=C(N)N4)O)O)O2)O)O)O
Computed Properties
- Exact Mass: 447.197
- Monoisotopic Mass: 447.197
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 10
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 31
- Rotatable Bond Count: 8
- Complexity: 772
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 10
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -8.2
- Topological Polar Surface Area: 245?2
Experimental Properties
- Density: 2.13
- Boiling Point: 832.2°Cat760mmHg
- Flash Point: 457.1°C
- Refractive Index: 1.854
Tetrodotoxin,11-[(5-amino-1-carboxypentyl)amino]-11-deoxy-, labeled with tritium, [11(S)]-(9CI) Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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