Atropine hydrochloride

Base Information

• Chemical Name: Atropine hydrochloride
• CAS No.: 5934-50-9
• Molecular Formula: C17H23 N O3 . Cl H
• Molecular Weight: 325.835
• Hs Code.: 2933990090
• European Community (EC) Number: 251-757-0,227-686-6
• UNII: EUF58V826B
• Wikidata: Q27277369
• Mol file: 5934-50-9.mol

Synonyms:ATROPINE HYDROCHLORIDE;Atropine HCl;33952-38-4;UNII-EUF58V826B;EUF58V826B;EINECS 251-757-0;Hyoscyamine hydrochloride;1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, (+-)-tropate (ester), hydrochloride;d,l-Tropic acid 1-alpha-(H),5-alpha-(H)-tropanyl-3-yl ester hydrochloride;HYOSCYAMINE HCl;5934-50-9;atropine sulfate hydrochloride;SCHEMBL184593;ATROPINE HYDROCHLORIDE, (+/-)-;HYOSCYAMINE HYDROCHLORIDE, (+/-)-;Q27277369;1.alpha.H,5.alpha.H-Tropan-3.alpha.-ol (.+.)-tropate (ester), hydrochloride;Benzeneacetic acid, .alpha.-(hydroxymethyl)- 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester endo-(.+.)-, hydrochloride;BENZENEACETIC ACID, .ALPHA.-(HYDROXYMETHYL)-, (3-ENDO)-8-METHYL-8-AZABICYCLO(3.2.1)OCT-3-YL ESTER, HYDROCHLORIDE (1:1)

Chemical Property of Atropine hydrochloride

Chemical Property:

• Vapor Pressure: 3.76E-08mmHg at 25°C
• Melting Point: 152 °C
• Boiling Point: 429.8oC at 760 mmHg
• Flash Point: 213.7oC
• PSA: 49.77000
• LogP: 2.67080
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 325.1444713
• Heavy Atom Count: 22
• Complexity: 353

Purity/Quality:

99% ^*data from raw suppliers

HYOSCYAMINE HYDROCHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Atropine hydrochloride

There total 1 articles about Atropine hydrochloride 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:

(2S,3S)-<1-14C,3-3H>phenylalanine → C16(14)CH22(3)HNO3*ClH + <1-14C,3-3H>hyoscyamine hydrochloride + <1-14C,3-3H>scopolamine hydrochloride + C16(14)CH20(3)HNO4*ClH + (-)-Atropine hydrochloride (5934-50-9) + (-)-Scopolamine hydrochloride (55-16-3)

Guidance literature:

Mechanism; Product distribution; Datura innoxia plants; (feeding experiments to study the stereochemistry of the migration of the carboxyl group);

Refernces