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1641-74-3 | 3-Pyridinecarboxylic acid, 2-(diethylamino)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
CAS No: 1641-74-3 Catalog No: AG001UNM MDL No:MFCD00058358
Product Description
Catalog Number:
AG001UNM
Chemical Name:
3-Pyridinecarboxylic acid, 2-(diethylamino)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
CAS Number:
1641-74-3
Molecular Formula:
C18H26N2O9
Molecular Weight:
414.4070
MDL Number:
MFCD00058358
IUPAC Name:
2-(diethylamino)ethyl pyridine-3-carboxylate;2-hydroxypropane-1,2,3-tricarboxylic acid
InChI:
InChI=1S/C12H18N2O2.C6H8O7/c1-3-14(4-2)8-9-16-12(15)11-6-5-7-13-10-11;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-7,10H,3-4,8-9H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChI Key:
IABBAGAOMDWOCW-UHFFFAOYSA-N
SMILES:
OC(=O)CC(C(=O)O)(CC(=O)O)O.CCN(CCOC(=O)c1cccnc1)CC
EC Number:
216-694-5
UNII:
1S708RDJ0V
NSC Number:
169477
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.164g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
414.411g/mol
Monoisotopic Mass:
414.164g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
175A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Is higher serum total cholesterol level associated with better long-term functional outcomes after noncardioembolic ischemic stroke? | Archives of physical medicine and rehabilitation 20100601 |
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