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2D Structure
Also known as: Hyoscyamine sulfate, Schembl34273, Chembl1697729
Molecular Formula
C17H25NO7S
Molecular Weight
387.4  g/mol
InChI Key
VJFQPODMEGSXHC-BXSBZORQSA-N

The 3(S)-endo isomer of atropine.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate;sulfuric acid
2.1.2 InChI
InChI=1S/C17H23NO3.H2O4S/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;1-5(2,3)4/h2-6,13-16,19H,7-11H2,1H3;(H2,1,2,3,4)/t13-,14+,15?,16-;/m1./s1
2.1.3 InChI Key
VJFQPODMEGSXHC-BXSBZORQSA-N
2.1.4 Canonical SMILES
CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.OS(=O)(=O)O
2.1.5 Isomeric SMILES
CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)[C@H](CO)C3=CC=CC=C3.OS(=O)(=O)O
2.2 Synonyms
2.2.1 MeSH Synonyms

1. Anaspaz

2. Atropine Sulfate, 3(s)-endo-isomer

3. Atropine, 3(s)-endo-isomer

4. Cytospaz

5. Hyoscyamine

6. Hyoscyamine Hydrobromide

7. Hyoscyamine Hydrochloride

8. Hyoscyamine Sulfate

9. Hyoscyamine Sulfate Anhydrous

2.2.2 Depositor-Supplied Synonyms

1. Hyoscyamine Sulfate

2. Schembl34273

3. Chembl1697729

2.3 Create Date
2007-12-12
3 Chemical and Physical Properties
Molecular Weight 387.4 g/mol
Molecular Formula C17H25NO7S
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass387.13517331 g/mol
Monoisotopic Mass387.13517331 g/mol
Topological Polar Surface Area133 Ų
Heavy Atom Count26
Formal Charge0
Complexity434
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Adjuvants, Anesthesia

Agents that are administered in association with anesthetics to increase effectiveness, improve delivery, or decrease required dosage. (See all compounds classified as Adjuvants, Anesthesia.)


Anti-Arrhythmia Agents

Agents used for the treatment or prevention of cardiac arrhythmias. They may affect the polarization-repolarization phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibers. Anti-arrhythmia agents are often classed into four main groups according to their mechanism of action: sodium channel blockade, beta-adrenergic blockade, repolarization prolongation, or calcium channel blockade. (See all compounds classified as Anti-Arrhythmia Agents.)


Bronchodilator Agents

Agents that cause an increase in the expansion of a bronchus or bronchial tubes. (See all compounds classified as Bronchodilator Agents.)


Muscarinic Antagonists

Drugs that bind to but do not activate MUSCARINIC RECEPTORS, thereby blocking the actions of endogenous ACETYLCHOLINE or exogenous agonists. Muscarinic antagonists have widespread effects including actions on the iris and ciliary muscle of the eye, the heart and blood vessels, secretions of the respiratory tract, GI system, and salivary glands, GI motility, urinary bladder tone, and the central nervous system. (See all compounds classified as Muscarinic Antagonists.)


Mydriatics

Agents that dilate the pupil. They may be either sympathomimetics or parasympatholytics. (See all compounds classified as Mydriatics.)


Parasympatholytics

Agents that inhibit the actions of the parasympathetic nervous system. The major group of drugs used therapeutically for this purpose is the MUSCARINIC ANTAGONISTS. (See all compounds classified as Parasympatholytics.)