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Suanfarma Suanfarma

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Technical details about Levalbuterol Tartrate, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: 661464-94-4, (r)-4-(2-(tert-butylamino)-1-hydroxyethyl)-2-(hydroxymethyl)phenol (2r,3r)-2,3-dihydroxysuccinate, (r)-4-(2-(tert-butylamino)-1-hydroxyethyl)-2-(hydroxy-methyl)phenol (2r,3r)-2,3-dihydroxysuccinate, (r)-4-(2-(tert-butylamino)-1-hydroxyethyl)-2-(hydroxymethyl)phenol (2r,3r)-2,3-dihydroxysuccinic acid
Molecular Formula
C17H27NO9
Molecular Weight
389.4  g/mol
InChI Key
SQOXPNYIJRDVRE-RVHANOPWSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol;(2R,3R)-2,3-dihydroxybutanedioic acid
2.1.2 InChI
InChI=1S/C13H21NO3.C4H6O6/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15;5-1(3(7)8)2(6)4(9)10/h4-6,12,14-17H,7-8H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t12-;1-,2-/m01/s1
2.1.3 InChI Key
SQOXPNYIJRDVRE-RVHANOPWSA-N
2.1.4 Canonical SMILES
CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O.C(C(C(=O)O)O)(C(=O)O)O
2.1.5 Isomeric SMILES
CC(C)(C)NC[C@@H](C1=CC(=C(C=C1)O)CO)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 661464-94-4

2. (r)-4-(2-(tert-butylamino)-1-hydroxyethyl)-2-(hydroxymethyl)phenol (2r,3r)-2,3-dihydroxysuccinate

3. (r)-4-(2-(tert-butylamino)-1-hydroxyethyl)-2-(hydroxy-methyl)phenol (2r,3r)-2,3-dihydroxysuccinate

4. (r)-4-(2-(tert-butylamino)-1-hydroxyethyl)-2-(hydroxymethyl)phenol (2r,3r)-2,3-dihydroxysuccinic Acid

2.3 Create Date
2010-12-22
3 Chemical and Physical Properties
Molecular Weight 389.4 g/mol
Molecular Formula C17H27NO9
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass389.16858144 g/mol
Monoisotopic Mass389.16858144 g/mol
Topological Polar Surface Area188 Ų
Heavy Atom Count27
Formal Charge0
Complexity361
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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