1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-amino-5-pyridin-4-yl-1H-pyridin-2-one;3-hydroxypropanoic acid

2.1.2 InChI

InChI=1S/C10H9N3O.C3H6O3/c11-9-5-8(6-13-10(9)14)7-1-3-12-4-2-7;4-2-1-3(5)6/h1-6H,11H2,(H,13,14);4H,1-2H2,(H,5,6)

2.1.3 InChI Key

NSLALHQEHXBOHP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CN=CC=C1C2=CNC(=O)C(=C2)N.C(CO)C(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Inocor (tn)

2. Amrinone Ethylenelactate

3. Inamrinone Ethylenelactate

4. Schembl1648759

5. Chebi:34536

6. D02084

7. 3-amino-5-pyridin-4-yl-1h-pyridin-2-one;3-hydroxypropanoic Acid

2.3 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₅N₃O₄
Molecular Weight	277.28 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	277.10625597 g/mol
Monoisotopic Mass	277.10625597 g/mol
Topological Polar Surface Area	126 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	351
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	2

Inamrinone Lactate