Daturine Hydrobromide

Base Information

• Chemical Name: Daturine Hydrobromide
• CAS No.: 306-03-6
• Deprecated CAS: 4607-53-8
• Molecular Formula: BrH*C₁₇H₂₃NO₃
• Molecular Weight: 370.286
• Hs Code.: 2933990090
• European Community (EC) Number: 206-174-6
• UNII: IWT50P9S79
• DSSTox Substance ID: DTXSID50889342
• Wikidata: Q27280923
• NCI Thesaurus Code: C75277
• ChEMBL ID: CHEMBL2106364
• Mol file: 306-03-6.mol

Synonyms:Anaspaz;Atropine Sulfate, 3(S)-endo-Isomer;Atropine, 3(S)-endo-Isomer;Cytospaz;Hyoscyamine;Hyoscyamine Hydrobromide;Hyoscyamine Hydrochloride;Hyoscyamine Sulfate;Hyoscyamine Sulfate Anhydrous

Chemical Property of Daturine Hydrobromide

Chemical Property:

• Vapor Pressure: 2.95E-09mmHg at 25°C
• Melting Point: 152 °C
• Boiling Point: 460 °C at 760 mmHg
• Flash Point: 213.7oC
• PSA: 49.77000
• LogP: 2.82690
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 369.09396
• Heavy Atom Count: 22
• Complexity: 353

Purity/Quality:

99% ^*data from raw suppliers

Hyoscyaminehydrobromide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T+
• Hazard Codes: T+
• Statements: 23/24/25-36/37/38-26/27/28
• Safety Statements: 26-36/37/39-45-22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.Br
• Isomeric SMILES: CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)[C@H](CO)C3=CC=CC=C3.Br
• Uses: Anticholinergic.