Cas no 113564-23-1 (Tetrodotoxin,11-deoxy-, (4b)-(9CI))
113564-23-1 structure
Product Name:Tetrodotoxin,11-deoxy-, (4b)-(9CI)
CAS No:113564-23-1
MF:C11H17N3O7
MW:303.268583059311
CID:212642
PubChem ID:163911
Update Time:2025-04-19
Tetrodotoxin,11-deoxy-, (4b)-(9CI) Chemical and Physical Properties
Names and Identifiers
-
- Tetrodotoxin,11-deoxy-, (4b)-(9CI)
- 11-deoxytetrodotoxin
- (1R,5S,6R,9S,11S,13S,14S)-3-amino-14-methyl-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-5,9,12,13,14-pentol (non-preferred name)
- Tetrodoxin, 11-deoxy-, (4beta)-
- (1R,5S,6R,7R,9S,11S,13S,14S)-3-amino-14-methyl-8,10-dioxa-2,4-diazatetracyclo[7.3.1.17,11.01,6]tetradec-3-ene-5,9,12,13,14-pentol
- DTXSID601019777
- 113564-23-1
- C20026
- CHEBI:196242
-
- Inchi： 1S/C11H17N3O7/c1-9(18)4-2-6(16)13-8(12)14-10(2)3(15)5(9)21-11(19,20-4)7(10)17/h2-7,15-19H,1H3,(H3,12,13,14)/t2-,3?,4-,5+,6+,7+,9+,10-,11+/m1/s1
- InChI Key： XXUFXWUHBMGUMY-FDOMXQSUSA-N
- SMILES： O1[C@]2([C@H]([C@]34C([C@@H]([C@](C)([C@H]1[C@@H]3[C@@H](N=C(N)N4)O)O)O2)O)O)O
Computed Properties
- Exact Mass: 303.107
- Monoisotopic Mass: 303.107
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 21
- Rotatable Bond Count: 0
- Complexity: 546
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -4.9
- Topological Polar Surface Area: 170?2
Experimental Properties
- Density: 2.6
- Boiling Point: 692.1°Cat760mmHg
- Flash Point: 372.3°C
- Refractive Index: 2.032
Tetrodotoxin,11-deoxy-, (4b)-(9CI) Related Literature
-
Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
-
James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
-
Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
113564-23-1 (Tetrodotoxin,11-deoxy-, (4b)-(9CI)) Related Products
- 4368-28-9(Tetrodotoxin)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
- 1449132-38-0(3-Fluoro-5-(2-fluoro-5-methylbenzylcarbamoyl)benzeneboronic acid)
Recommended suppliers
Hebei Liye chemical Co.,Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Hangzhou Cedareal Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Shanghai Jinhuan Chemical CO., LTD.
Gold Member
Audited Supplier
CN Supplier
Bulk
Nantong Boya Environmental Protection Technology Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
鉅瀾化工科技(青島)有限公司
Gold Member
Audited Supplier
CN Supplier
Bulk
