Synonyms: | Benzenemethanol,a-[1-(methylamino)ethyl]-,[R-(R*,R*)]-;Pseudoephedrine, (-)- (8CI);(-)-(1R,2R)-Pseudoephedrine;(-)-Pseudoephedrine;(-)-threo-Ephedrine;(-)-y-Ephedrine;(1R,2R)-(-)-Pseudoephedrine;(1R,2R)-Ephedrine;(1R,2R)-Pseudoephedrine;(aR)-a-[(1R)-1-(methylamino)ethyl]benzenemethanol;D-(-)-Pseudoephedrine;D-Pseudoephedrine;l-(1R,2R)-Pseudoephedrine;l-Pseudoephedrine;7009-81-6; |
Specification: |
The (-)-Pseudoephedrine, its cas register number is 321-97-1. It also can be called as alpha-(1-Methylaminoethyl)benzyl alcohol and the IUPAC name about this chemical is (1R,2R)-2-(methylamino)-1-phenylpropan-1-ol. It belongs to the Pharmaceutical Raw Materials.
Physical properties about (-)-Pseudoephedrine are: (1)ACD/LogP: 1.05; (2)ACD/LogD (pH 5.5): -1.99; (3)ACD/LogD (pH 7.4): -0.96; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 12.47Å2; (12)Index of Refraction: 1.528; (13)Molar Refractivity: 50.15 cm3; (14)Molar Volume: 162.7 cm3; (15)Polarizability: 19.88x10-24cm3; (16)Surface Tension: 38 dyne/cm; (17) Enthalpy of Vaporization: 52.03 kJ/mol; (18)Vapour Pressure: 0.00865 mmHg at 25°C
The (-)-Pseudoephedrine is a white to almost white crystalline powder and it can be used as a decongestant, relieves nasal discomfort caused by colds, allergies, and hay fever.
When you are using this chemical, you should be very cautious. Being a kind of irritant chemical, it is irritating to eyes, respiratory system and skin. Also this chemical is harmful by inhalation, in contact with skin and if swallowed. When you are contacting with it, wear suitable gloves and eye/face protection. And if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C(C1=CC=CC=C1)O)NC
(2)Isomeric SMILES: C[C@H]([C@@H](C1=CC=CC=C1)O)NC
(3)InChI: InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10+/m1/s1
(4)InChIKey: KWGRBVOPPLSCSI-SCZZXKLOSA-N
The toxicity data is as follows:
Organism |
Test Type |
Route |
Reported Dose (Normalized Dose) |
Effect |
Source |
mouse |
LD50 |
intraperitoneal |
248mg/kg (248mg/kg) |
BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
BEHAVIORAL: TREMOR
BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD |
Journal of Pharmaceutical Sciences. Vol. 53, Pg. 987, 1964.
|
mouse |
LD50 |
intravenous |
105mg/kg (105mg/kg) |
BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
LUNGS, THORAX, OR RESPIRATION: DYSPNEA |
Journal of Pharmacology and Experimental Therapeutics. Vol. 148, Pg. |
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