294616
(+)-Pseudoephedrine hydrochloride
99%
Synonym(s):
(+)-ψ-Ephedrine hydrochloride, (1S,2S)-2-Methylamino-1-phenylpropanol hydrochloride, d-Isoephedrine hydrochloride, d-Pseudoephedrine hydrochloride
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About This Item
Linear Formula:
C6H5CH[CH(NHCH3)CH3]OH·HCl
CAS Number:
Molecular Weight:
201.69
Beilstein:
3915112
EC Number:
MDL number:
UNSPSC Code:
12352103
NACRES:
NA.22
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Assay
99%
optical activity
[α]25/D +61°, c = 1 in H2O
mp
185-188 °C (lit.)
SMILES string
Cl.CN[C@@H](C)[C@@H](O)c1ccccc1
InChI
1S/C10H15NO.ClH/c1-8(11-2)10(12)9-6-4-3-5-7-9;/h3-8,10-12H,1-2H3;1H/t8-,10+;/m0./s1
InChI key
BALXUFOVQVENIU-KXNXZCPBSA-N
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Biochem/physiol Actions
Non-selective adrenergic agonist; decongestant
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Sean Ekins et al.
Drug metabolism and disposition: the biological fate of chemicals, 38(12), 2302-2308 (2010-09-17)
Drug-induced liver injury (DILI) is one of the most important reasons for drug development failure at both preapproval and postapproval stages. There has been increased interest in developing predictive in vivo, in vitro, and in silico models to identify compounds
Nigel Greene et al.
Chemical research in toxicology, 23(7), 1215-1222 (2010-06-18)
Drug-induced liver injury is a major issue of concern and has led to the withdrawal of a significant number of marketed drugs. An understanding of structure-activity relationships (SARs) of chemicals can make a significant contribution to the identification of potential
Zhichao Liu et al.
PLoS computational biology, 7(12), e1002310-e1002310 (2011-12-24)
Drug-induced liver injury (DILI) is a significant concern in drug development due to the poor concordance between preclinical and clinical findings of liver toxicity. We hypothesized that the DILI types (hepatotoxic side effects) seen in the clinic can be translated
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