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Also known as: 3,4,3-li(1,2-hopo), Unii-r6sml525fn, 110874-36-7, R6sml525fn, Kun74367, 2-pyridinecarboxamide, n,n'-1,4-butanediylbis(n-(3-(((1,6-dihydro-1-hydroxy-6-oxo-2-pyridinyl)carbonyl)amino)propyl)-1,6-dihydro-1-hydroxy-6-oxo-

Molecular Formula

C₃₄H₃₈N₈O₁₂

Molecular Weight

750.7 g/mol

InChI Key

KUWKQASGHNTJAT-UHFFFAOYSA-N

FDA UNII

R6SML525FN

1 2D Structure

3,4,3-Li(1,2-hopo)

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-hydroxy-N-[3-[(1-hydroxy-6-oxopyridine-2-carbonyl)-[4-[(1-hydroxy-6-oxopyridine-2-carbonyl)-[3-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]amino]butyl]amino]propyl]-6-oxopyridine-2-carboxamide

2.1.2 InChI

InChI=1S/C34H38N8O12/c43-27-13-3-9-23(39(27)51)31(47)35-17-7-21-37(33(49)25-11-5-15-29(45)41(25)53)19-1-2-20-38(34(50)26-12-6-16-30(46)42(26)54)22-8-18-36-32(48)24-10-4-14-28(44)40(24)52/h3-6,9-16,51-54H,1-2,7-8,17-22H2,(H,35,47)(H,36,48)

2.1.3 InChI Key

KUWKQASGHNTJAT-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=O)N(C(=C1)C(=O)NCCCN(CCCCN(CCCNC(=O)C2=CC=CC(=O)N2O)C(=O)C3=CC=CC(=O)N3O)C(=O)C4=CC=CC(=O)N4O)O

2.2 Other Identifiers

2.2.1 UNII

R6SML525FN

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1,5,10,14-tetra(1-hydroxy-2-pyridon-6-oyl)-1,5,10,14-tetraazatetradecane

2. 3,4,3-li(1,2-hopo)

3. 3,4,3li(1,2-hopo)

2.3.2 Depositor-Supplied Synonyms

1. 3,4,3-li(1,2-hopo)

2. Unii-r6sml525fn

3. 110874-36-7

4. R6sml525fn

5. Kun74367

6. 2-pyridinecarboxamide, N,n'-1,4-butanediylbis(n-(3-(((1,6-dihydro-1-hydroxy-6-oxo-2-pyridinyl)carbonyl)amino)propyl)-1,6-dihydro-1-hydroxy-6-oxo-

7. N,n'-(butane-1,4-diyl)bis(1-hydroxy-n-(3-(1-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxamido)propyl)-6-oxo-1,6-dihydropyridine-2-carboxamide)

8. N,n'-butane-1,4-diylbis[1-hydroxy-n-(3-{[(1-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)carbonyl]amino}propyl)-6-oxo-1,6-dihydropyridine-2-carboxamide]

9. Chembl264485

10. Schembl13531452

11. Ex-a6322

12. 1-hydroxy-n-[3-[(1-hydroxy-6-oxopyridine-2-carbonyl)-[4-[(1-hydroxy-6-oxopyridine-2-carbonyl)-[3-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl]amino]butyl]amino]propyl]-6-oxopyridine-2-carboxamide

13. Q27287867

14. 2,2',2'',2'''-(1,5,10,14-tetraazatetradecane-1,5,10,14-tetryltetrakiscarbonyl)tetrakis(6-hydroxypyridine 1-oxide)

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₃₄H₃₈N₈O₁₂
Molecular Weight	750.7 g/mol
XLogP3	0.9
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	17
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	261
Heavy Atom Count	54
Formal Charge	0
Complexity	1690
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1