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350820-08-5 molecular structure
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(1R,2S)-2-[(2H3)methylamino]-1-phenyl(3,3,3-2H3)propan-1-ol hydrochloride

ChemBase ID: 168029
Molecular Formular: C10H16ClNO
Molecular Mass: 201.69314
Monoisotopic Mass: 201.09204182
SMILES and InChIs

SMILES:
c1cccc(c1)[C@H]([C@@H](NC)C)O.Cl
Canonical SMILES:
CN[C@H]([C@@H](c1ccccc1)O)C.Cl
InChI:
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
InChIKey:
BALXUFOVQVENIU-GNAZCLTHSA-N

Cite this record

CBID:168029 http://www.chembase.cn/molecule-168029.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1R,2S)-2-[(2H3)methylamino]-1-phenyl(3,3,3-2H3)propan-1-ol hydrochloride
IUPAC Traditional name
(1R,2S)-2-[(2H3)methylamino]-1-phenyl(3,3,3-2H3)propan-1-ol hydrochloride
Synonyms
(αR)-α-[(1S)-1-(Methyl-d3-amino)ethyl-2,2,2-d3]benzenemethanol Hydrochloride
l-Ephedrine-d6 Hydrochloride
(1R,2S)-(-)-Ephedrine-d6 Hydrochloride
CAS Number
350820-08-5
PubChem SID
162262161
PubChem CID
71316347

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC E575003 external link Add to cart
PubChem 71316347 external link
Data Source Data ID Price
TRC
E575003 external link Add to cart Please log in.
Data Source Data ID
PubChem 71316347 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.889531  H Acceptors
H Donor LogD (pH = 5.5) -1.8580045 
LogD (pH = 7.4) -0.7786886  Log P 1.3178347 
Molar Refractivity 49.6873 cm3 Polarizability 19.852737 Å3
Polar Surface Area 32.26 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - E575003 external link
Labelled Ephedrine. An α- and β-adrenergic agonist. Bronchodilator.

REFERENCES

REFERENCES

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  • • urley, B.J., et al.: Ther. Drug Monit., 20, 439 (1998)
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PATENTS

PATENTS

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INTERNET

INTERNET

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