HYOSCYAMINE SULFATE

Base Information

• Chemical Name: HYOSCYAMINE SULFATE
• CAS No.: 620-61-1
• Deprecated CAS: 1976-91-6,3715-52-4
• Molecular Formula: C₁₇H₂₃NO₃*H₂O₄S
• Molecular Weight: 387.454
• European Community (EC) Number: 210-644-6
• UNII: OB570Z127K
• DSSTox Substance ID: DTXSID001341118
• Wikidata: Q27285545
• NCI Thesaurus Code: C74575
• RXCUI: 1742407
• Mol file: 620-61-1.mol

Synonyms:Hyoscyaminesulfatehydrate;LHyoscyamineHemisulfate;HyoscyamineSulphate

Chemical Property of HYOSCYAMINE SULFATE

Chemical Property:

• Melting Point: 205-206oC
• Refractive Index: -28 ° (C=5, H2O)
• PSA: 191.75000
• LogP: 4.10130
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 10
• Exact Mass: 676.30296691
• Heavy Atom Count: 47
• Complexity: 434

Purity/Quality:

99%, ^*data from raw suppliers

Hyoscyamine sulfate hydrate ^*data from reagent suppliers

Safty Information:

• Statements: 26/28
• Safety Statements: 1-24/25-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.OS(=O)(=O)O
• Isomeric SMILES: CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)[C@H](CO)C3=CC=CC=C3.CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)[C@H](CO)C3=CC=CC=C3.OS(=O)(=O)O
• Clinical Use: Hyoscyamine sulfate is used as an anticholinergic in the same mannerand for the same indications as atropine and hyoscyamine, butit possesses the disadvantage of being deliquescent.

Technology Process of HYOSCYAMINE SULFATE

There total 12 articles about HYOSCYAMINE SULFATE which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.0%

Atropine (51-55-8) → (1R,3r,5S)-3-tropoyloxytropanium sulfate (55-48-1,300-40-3,620-61-1,1867-24-9,2472-17-5,2623-69-0,14844-27-0,5908-99-6)

Guidance literature:

With sulfuric acid; In acetone;

Reference yield:

Atropine (51-55-8) → atropine sulfate (5908-99-6,55-48-1,300-40-3,620-61-1,1867-24-9,2472-17-5,2623-69-0,14844-27-0)

Guidance literature:

With sulfuric acid; In dichloromethane; water; acetone; at 29 - 42 ℃; for 3.5h;

Reference yield:

α-formyl phenyl acetic acid (59216-85-2) → atropine sulfate (5908-99-6,55-48-1,300-40-3,620-61-1,1867-24-9,2472-17-5,2623-69-0,14844-27-0)

Guidance literature:

Multi-step reaction with 3 steps

1: sodium methylate / toluene / 5 h / 109 - 115 °C

2: sodium tetrahydroborate; methanol / dichloromethane / 4 h / 0 - 20 °C

3: sulfuric acid / water; dichloromethane; acetone / 3.5 h / 29 - 42 °C

With methanol; sodium tetrahydroborate; sulfuric acid; sodium methylate; In dichloromethane; water; acetone; toluene;

upstream raw materials:

α-formyl phenyl acetic acid

Atropine

acetonedicarboxylic acid

tropinone

Downstream raw materials:

(1R,3r,5S)-3-tropoyloxytropanium sulfate

L-hyoscyamine sulphate

Atropine

α-formyl phenyl acetic acid tropine ester

Refernces

• 1、 -. "An anti-choline medicine preparation method of atropine sulfate". Paragraph 0039; 0040. . Retrieved 2017/03/08.
• 2、 -. "CRYSTALLINE ATROPINE SULFATE". . . Retrieved 2014/07/21.