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2D Structure
Also known as: Schembl34274, Ft-0603494, Ft-0656045
Molecular Formula
C34H48N2O10S
Molecular Weight
676.8  g/mol
InChI Key
HOBWAPHTEJGALG-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate;sulfate
2.1.2 InChI
InChI=1S/2C17H23NO3.H2O4S/c2*1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;1-5(2,3)4/h2*2-6,13-16,19H,7-11H2,1H3;(H2,1,2,3,4)
2.1.3 InChI Key
HOBWAPHTEJGALG-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C[NH+]1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.C[NH+]1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.[O-]S(=O)(=O)[O-]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Schembl34274

2. Ft-0603494

3. Ft-0656045

2.3 Create Date
2012-08-08
3 Chemical and Physical Properties
Molecular Weight 676.8 g/mol
Molecular Formula C34H48N2O10S
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Exact Mass676.30296691 g/mol
Monoisotopic Mass676.30296691 g/mol
Topological Polar Surface Area191 Ų
Heavy Atom Count47
Formal Charge0
Complexity415
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count6
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3
4 Drug and Medication Information
4.1 Drug Information
1 of 2  
Drug NameAtropine sulfate
Drug LabelAtropine Sulfate Injection, USP is a sterile, nonpyrogenic isotonic solution of atropine sulfate monohydrate in water for injection with sodium chloride sufficient to render the solution isotonic. It is administered parenterally by subcutaneous, intr...
Active IngredientAtropine sulfate
Dosage FormSolution/drops
RouteOphthalmic
Strength1%
Market StatusPrescription
CompanyAkorn

2 of 2  
Drug NameAtropine sulfate
Drug LabelAtropine Sulfate Injection, USP is a sterile, nonpyrogenic isotonic solution of atropine sulfate monohydrate in water for injection with sodium chloride sufficient to render the solution isotonic. It is administered parenterally by subcutaneous, intr...
Active IngredientAtropine sulfate
Dosage FormSolution/drops
RouteOphthalmic
Strength1%
Market StatusPrescription
CompanyAkorn