Hyoscyamine hydrochloride
Basic information
- CAS
5934-50-9- Standard SMILES
CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2.Cl- InChIKey
OJIPQOWZZMSBGY-UHFFFAOYSA-N- Molecular formula
- C17H24ClNO3
- Average molar mass
- 325.8 g/mol
- Monoisotopic mass
- 325.1444713
Overview
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Names & identifiers
- Preferred name
- Hyoscyamine hydrochloride
- IUPAC
- (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate;hydrochloride
- English name
- Hyoscyamine hydrochloride
- Molecular formula
- C17H24ClNO3
- Molecular weight
- 325.83
Names & synonyms
Hyoscyamine hydrochloride5934-50-9NSC61808DuboiseneNSC-61808HyoscyaminhydrochloridSCHEMBL1845941.alpha.H, (-)-tropate (ester), hydrochloride8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 3-hydroxy-2-phenylpropanoate hydrochloride[3(S)-endo]-alpha-[Hydroxymethyl]- benzeneacetic acid 8-methyl- 8-azabicyclo[3.2.1]oct-3-yl esterBenzeneacetic acid, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, hydrochloride, [3(S)-endo]-HYOSCYAMINE HCL
Show more names
(-)-HyoscyaminhydrochloridL-HYOSCYAMINE HYDROCHLORIDE(3(S)-ENDO)-ALPHA-(HYDROXYMETHYL)BENZENEACETIC ACID 8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL ESTER HYDROCHLORIDEBenzeneacetic acid, α-(hydroxymethyl)-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, hydrochloride , (αS)-
Database identifiers
- CAS
5934-50-9- PubChem CID
- 36634
Properties
Computed structural properties
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 353
Physicochemical properties
- Melting point
- 152 °C · 152 °C
- storage temp.
- 2 · 2-8°C
- Merck
- 4858 · 4858
- CAS DataBase Reference
- 5934 · 5934-50-9(CAS DataBase Reference)
- FDA UNII
- 1 D5WC802NO · 1D5WC802NO
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 311 · H311-H301-H331
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P280-P302+P352-P312-P322-P361-P363-P405-P501-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501
- Hazard Codes
- T+
- Risk Statements
- 26 · 26/27/28
- Safety Statements
- 22 · 22-36/37/39-45
- RIDADR
- 1544 · UN 1544 6.1/PG 2
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
- ridadr
- UN 1544 6.1/PG 2
- risk_code
- 26/27/28
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T+
- safety_code
- 22-36/37/39-45
- Hazard statements
- H311-H301-H331
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P280-P302+P352-P312-P322-P361-P363-P405-P501-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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