Atropine, sulfate (2:1), dihydrate
Basic information
- CAS
73791-47-6- Standard SMILES
CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2.CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2.O.O.O=S(=O)(O)O- InChIKey
VJFQPODMEGSXHC-UHFFFAOYSA-N- Molecular formula
- C34H52N2O12S
- Average molar mass
- 712.8 g/mol
- Monoisotopic mass
- 712.32409627
Overview
See also: Atropine Sulfate (annotation moved to); Hyoscyamine Sulfate (annotation moved to); Atropine Sulfate Anhydrous (annotation moved to).
Names & identifiers
- Preferred name
- Atropine, sulfate (2:1), dihydrate
- IUPAC
- bis((8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate);sulfuric acid;dihydrate
- English name
- ATROPINE SULFATE
- Molecular formula
- C34H48N2O10S
- Molecular weight
- 676.82
Names & synonyms
ATROPINE, SULFATE (2:1), DIHYDRATE73791-47-6RefChem:1077348Atropine sulphateHyoscyamine sulfate(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate;sulfuric acid;dihydrateendo-8-Methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate sulfate dihydrate(2:1:2)Atropine sulfate hydrate (2:1:2)Benzeneacetic acid, alpha-(hydroxymethyl)- (3-endo)-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, sulfate (2:1) (salt), dihydrateFM158430(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoateAtropine, sulfate (2:1), dihydrateATROPINE SULFATE, ATROPA BELLADONNA (LINNAEUS)
Show more names
Endo-8-Methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate sulfate dihydrate(2:1
Properties
Computed structural properties
- Topological polar surface area
- 185 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 10
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 434
Physicochemical properties
- Melting point
- 189 · 189-192 °C (A)(lit.)
- CAS DataBase Reference
- 73791 · 73791-47-6(CAS DataBase Reference)
- Hazard Codes
- T+
- Risk Statements
- 26 · 26/28
- Safety Statements
- 23 · 23-45
- RIDADR
- 1544 · UN 1544 6.1/PG 2
- WGK Germany
- 2 · 2
- F
- 3 · 3-8-10
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 3-8-10
- wgk
- 2
- ridadr
- UN 1544 6.1/PG 2
- risk_code
- 26/28
- hazard_code
- T+
- safety_code
- 23-45
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Compound notes
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