Atropine sulfate anhydrous CAS NO.55-48-1

Atropine sulfate anhydrous(CAS NO.55-48-1) is also named as 1-alpha-H,5-alpha-H-Tropan-3-alpha-ol (+-)-tropate (ester), sulfate (2:1) salt; AI3-14072; Atropen; Atropette; Atropin siran; Atropin siran [Czech]; Atropine sulfate; Atropine sulfate (VAN); Atropine sulphate; Atropine sulphate (VAN); Atropine, sulfate (2:1); Atropinium sulfate; Atropisol; Corbella. Atropine sulfate is a tropane alkaloid extracted from deadly nightshade, jimsonweed , mandrake and other plants of the family Solanaceae. It serves as a drug with a wide variety of effects and is a competitive antagonist for the muscarinic acetylcholine receptor.  Atropine sulfate anhydrous can be synthesized by the reaction of tropine with tropic acid in the presence of hydrochloric acid.Atropine is a racemic mixture of D-hyoscyamine and L-hyoscyamine, with most of its physiological effects due to L-hyoscyamine. Its pharmacological effects are due to binding to muscarinic acetylcholine receptors. It is an antimuscarinic agent. Atropine sulfate anhydrous is used as a cycloplegic, to temporarily paralyze the accommodation reflex, and as a mydriatic, to dilate the pupils.

Physical properties about Atropine sulfate anhydrous are: (1)ACD/LogP: 1.528; (2)ACD/LogD (pH 5.5): -1.55; (3)ACD/LogD (pH 7.4): -0.94; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 1.00; (7)ACD/KOC (pH 7.4): 1.00; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)Flash Point: 213.7 °C; (11)Enthalpy of Vaporization: 72.22 kJ/mol; (12)Boiling Point: 429.8 °C at 760 mmHg; (13)Vapour Pressure: 3.76E-08 mmHg at 25°C

You can still convert the following datas into molecular structure: 
(1)InChI=1S/2C17H23NO3.H2O4S/c2*1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;1-5(2,3)4/h2*2-6,13-16,19H,7-11H2,1H3;(H2,1,2,3,4); 
(2)InChIKey=HOBWAPHTEJGALG-UHFFFAOYSA-N; 
(3)SmilesS(O)(O)(=O)=O.C1[C@@H](C[C@@H]2N([C@@H]1CC2)C)OC([C@@H](c1ccccc1)CO)=O.C1[C@@H](C[C@@H]2CC[C@@H]1N2C)OC([C@@H](c1ccccc1)CO)=O;

The toxicity data is as follows:

Atropine sulfate anhydrous(CAS NO.55-48-1) is also named as 1-alpha-H,5-alpha-H-Tropan-3-alpha-ol (+-)-tropate (ester), sulfate (2:1) salt; AI3-14072; Atropen; Atropette; Atropin siran; Atropin siran [Czech]; Atropine sulfate; Atropine sulfate (VAN); Atropine sulphate; Atropine sulphate (VAN); Atropine, sulfate (2:1); Atropinium sulfate; Atropisol; Corbella. Atropine sulfate is a tropane alkaloid extracted from deadly nightshade, jimsonweed , mandrake and other plants of the family Solanaceae. It serves as a drug with a wide variety of effects and is a competitive antagonist for the muscarinic acetylcholine receptor.  Atropine sulfate anhydrous can be synthesized by the reaction of tropine with tropic acid in the presence of hydrochloric acid.Atropine is a racemic mixture of D-hyoscyamine and L-hyoscyamine, with most of its physiological effects due to L-hyoscyamine. Its pharmacological effects are due to binding to muscarinic acetylcholine receptors. It is an antimuscarinic agent. Atropine sulfate anhydrous is used as a cycloplegic, to temporarily paralyze the accommodation reflex, and as a mydriatic, to dilate the pupils.

Physical properties about Atropine sulfate anhydrous are: (1)ACD/LogP: 1.528; (2)ACD/LogD (pH 5.5): -1.55; (3)ACD/LogD (pH 7.4): -0.94; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 1.00; (7)ACD/KOC (pH 7.4): 1.00; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)Flash Point: 213.7 °C; (11)Enthalpy of Vaporization: 72.22 kJ/mol; (12)Boiling Point: 429.8 °C at 760 mmHg; (13)Vapour Pressure: 3.76E-08 mmHg at 25°C

You can still convert the following datas into molecular structure: 
(1)InChI=1S/2C17H23NO3.H2O4S/c2*1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;1-5(2,3)4/h2*2-6,13-16,19H,7-11H2,1H3;(H2,1,2,3,4); 
(2)InChIKey=HOBWAPHTEJGALG-UHFFFAOYSA-N; 
(3)SmilesS(O)(O)(=O)=O.C1[C@@H](C[C@@H]2N([C@@H]1CC2)C)OC([C@@H](c1ccccc1)CO)=O.C1[C@@H](C[C@@H]2CC[C@@H]1N2C)OC([C@@H](c1ccccc1)CO)=O;

The toxicity data is as follows: