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| CAS No.: | 134-53-2 |
|---|---|
| Name: | Amprotropine |
| Molecular Structure: | |
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| Formula: | C18H29NO3•H3O4P |
| Molecular Weight: | 405.48 |
| Synonyms: | Amprotropine |
| Density: | g/cm3 |
| Melting Point: | 142-145° |
| Boiling Point: | 415.3°Cat760mmHg |
| Flash Point: | 205°C |
| Safety: | Poison by ingestion, subcutaneous, and intravenous routes. Moderately toxic by parenteral route. When heated to decomposition it emits very toxic fumes of POx and NOx. An anticholinergic agent. |
| PSA: | 137.34000 |
| LogP: | 1.74510 |
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Chemistry
Molecule structure of Amprotropine phosphate (CAS NO.134-53-2):
IUPAC Name: [3-(Diethylamino)-2,2-dimethylpropyl] 3-hydroxy-2-phenylpropanoate; phosphoric acid
Molecular Weight: 405.422941 g/mol
Molecular Formula: C18H32NO7P
Boiling Point: 415.3 °C at 760 mmHg
Flash Point: 205 °C
Enthalpy of Vaporization: 70.47 kJ/mol
Vapour Pressure: 1.21E-07 mmHg at 25 °C
H-Bond Donor: 4
H-Bond Acceptor: 8
Rotatable Bond Count: 10
Exact Mass: 405.191639
MonoIsotopic Mass: 405.191639
Topological Polar Surface Area: 128
Heavy Atom Count: 27
Complexity: 370
Canonical SMILES: CCN(CC)CC(C)(C)COC(=O)C(CO)C1=CC=CC=C1.OP(=O)(O)O
InChI: InChI=1S/C18H29NO3.H3O4P/c1-5-19(6-2)13-18(3,4)14-22-17(21)16(12-20)15-10-8-7-9-11-15;1-5(2,3)4/h7-11,16,20H,5-6,12-14H2,1-4H3;(H3,1,2,3,4)
InChIKey: YHASIXBUOZWGHL-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | ivn-rat LD50:43 mg/kg | JLCMAK Journal of Laboratory and Clinical Medicine. 30 (1945),700. | ||
| 2. | orl-mus LDLo:570 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 60 (1937),1. | ||
| 3. | scu-mus LDLo:1250 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 60 (1937),1. | ||
| 4. | ivn-mus LD50:51 mg/kg | JLCMAK Journal of Laboratory and Clinical Medicine. 30 (1945),700. | ||
| 5. | scu-cat LDLo:200 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 60 (1937),1. | ||
| 6. | scu-rbt LDLo:500 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 60 (1937),1. | ||
| 7. | ivn-rbt LD50:25 mg/kg | SMWOAS Schweizerische Medizinische Wochenschrift. 76 (1946),1282. | ||
| 8. | scu-frg LDLo:1500 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 60 (1937),1. | ||
| 9. | par-frg LDLo:1000 mg/kg | AEPPAE Naunyn-Schmiedebergs Archiv fuer Experimentelle Pathologie und Pharmakologie. 173 (1933),86. |
Safety Profile
Poison by ingestion, subcutaneous, and intravenous routes. Moderately toxic by parenteral route. When heated to decomposition it emits very toxic fumes of POx and NOx. An anticholinergic agent.
Specification
Amprotropine phosphate (CAS NO.134-53-2) is also named as1-Propanol, 3-(diethylamino)-2,2-dimethyl-, tropate, phosphate ; 3-Diethylamino-2,2-dimethylpropyl tropate phospate ; AP 407 ; Syntropan ; UNII-6831EK981Y ; d,l-Tropasaeureester des 3-diaethylamino-2,2-dimethyl-1-propanol phosphat ; d,l-Tropasaeureester des 3-diaethylamino-2,2-dimethyl-1-propanol phosphat [German] . Amprotropine phosphate (CAS NO.134-53-2) is highly toxic. It is flammable. It will produce toxic nitrogen oxideand phosphorus oxide fumes when buring. So the storage environment should be ventilate, low-temperature and dry.