Basic information
- CAS
300-40-3- Standard SMILES
CN1C2CCC1CC(OC(=O)[C@@H](CO)c1ccccc1)C2.CN1C2CCC1CC(OC(=O)[C@@H](CO)c1ccccc1)C2.O=S(=O)(O)O- InChIKey
HOBWAPHTEJGALG-ZXMPQTSBSA-N- Molecular formula
- C34H48N2O10S
- Average molar mass
- 676.8 g/mol
- Monoisotopic mass
- 676.30296691
Names & identifiers
- Preferred name
- (+)-Hyoscyamine sulfate
- IUPAC
- bis((8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (2R)-3-hydroxy-2-phenylpropanoate);sulfuric acid
Names & synonyms
(+)-Hyoscyamine sulfate4OY8WC8M33UNII-4OY8WC8M33Hyoscyamine sulfate anhydrous, (+)-1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, (+)-tropate (ester), sulfate (2:1) (salt)Benzeneacetic acid, alpha-(hydroxymethyl)-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, (3(R)-endo)-, sulfate (2:1) (salt)
Database identifiers
- CAS
300-40-3- PubChem CID
- 64693
Properties
Computed structural properties
- Topological polar surface area
- 183 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 10
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 434
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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