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24221-86-1 molecular structure
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(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol hydrochloride

ChemBase ID: 110703
Molecular Formular: C10H16ClNO
Molecular Mass: 201.69314
Monoisotopic Mass: 201.09204182
SMILES and InChIs

SMILES:
Cl.CN[C@@H](C)[C@@H](O)c1ccccc1
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-KXNXZCPBSA-N

Cite this record

CBID:110703 http://www.chembase.cn/molecule-110703.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol hydrochloride
IUPAC Traditional name
pseudoephedrine hydrochloride
Synonyms
d-Ephedrine Hydrochloride
(1S,2R)-(+)-2-(Methylamino)-1-phenylpropan-1-ol Hydrochloride
α-[1-(Methylamino)ethyl]benzenemethanol Hydrochloride
(1S,2R)-(+)-Ephedrine Hydrochloride
(αS)-α-[(1S)-1-(Methylamino)ethyl]benzenemethanol Hydrochloride
(+)-Pseudoephedrine Hydrochloride
1S,2S-(+)-Pseudoephedrine Hydrochloride
Decongess SR
Galpseud
L-(+)-Pseudoephedrine Hydrochloride
NSC 106567
Novafed
Otrinol
Rhinalair
Sinufed
Sudafed
(+)-Pseudoephedrine Hydrochloride
D-PSEUDOEPHEDRINE HCl
(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol hydrochloride
(+)-Pseudoephedrine hydrochloride
(+)-ψ-Ephedrine hydrochloride
(1S,2S)-2-Methylamino-1-phenylpropanol hydrochloride
d-Isoephedrine hydrochloride
d-Pseudoephedrine hydrochloride
d-伪麻黄碱 盐酸盐
d-异麻黄碱 盐酸盐
(+)-伪麻黄碱 盐酸盐
(+)-ψ-麻黄碱 盐酸盐
(1S,2S)-2-甲氨基-1-苯丙醇 盐酸盐
CAS Number
24221-86-1
345-78-8
EC Number
206-462-1
MDL Number
MFCD00058088
Beilstein Number
3915112
PubChem SID
24894482
162089345
24887972
PubChem CID
9581

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 19.85273 Å3
Polar Surface Area 32.26 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
DMSO expand Show data source
Ethanol expand Show data source
Methanol expand Show data source
Water expand Show data source
Apperance
Off-White Solid expand Show data source
White Solid expand Show data source
Melting Point
167-172°C expand Show data source
181-185 °C expand Show data source
185-188 °C(lit.) expand Show data source
213-215°C expand Show data source
Optical Rotation
[α]20/D +62±3°, c = 1% in H2O expand Show data source
[α]25/D +61°, c = 1 in H2O expand Show data source
Storage Condition
Refrigerator expand Show data source
RTECS
UL5950000 expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22-36/37/38 expand Show data source
22-36/38 expand Show data source
Safety Statements
26 expand Show data source
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H315-H319 expand Show data source
GHS Precautionary statements
P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves expand Show data source
Purity
≥98% expand Show data source
≥99.0% (AT) expand Show data source
99% expand Show data source
Grade
Sigma Reference Standard expand Show data source
Salt Data
HCl expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Packaging
vial of 250 mg expand Show data source
Impurities
≤0.5% water expand Show data source
Linear Formula
C6H5CH[CH(NHCH3)CH3]OH·HCl expand Show data source
Classification
Genuine Natural Compounds expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich TRC TRC
MP Biomedicals - 05215980 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - E2750 external link
Biochem/physiol Actions
非选择性肾上腺素激动剂;减充血剂
包装
25, 100 g in glass bottle
Sigma Aldrich - E1889 external link
Biochem/physiol Actions
非选择性肾上腺素激动剂;减充血剂
包装
棕色螺纹盖样品瓶包装
Sigma Aldrich - 294616 external link
Biochem/physiol Actions
Non-selective adrenergic agonist; decongestant
Sigma Aldrich - 82448 external link
Biochem/physiol Actions
Non-selective adrenergic agonist; decongestant
Other Notes
Sales restrictions may apply
Toronto Research Chemicals - E575005 external link
α- and β-Adrenergic agonist. Bronchodilator.
Toronto Research Chemicals - P839350 external link
Non-selective adrenergic agonist; decongestant (nasal). Controlled precursor.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Wiegand, R., et al.: J. Anal. Toxicol., 26, 519 (2002)
  • • Rytting, E., et al.: J. Pharmacol. Exper. Thera., 312, 192 (2002)
  • • Fairchild, M.D., et al.: J. Pharmacol. Exp. Ther., 158, 135 (1967)
  • • Hughes, D.T.D., et al.: J. Clin. Hosp. Pharm., 8, 315 (1967)
  • • Gurley, B.J., et al.: J. Pharm. Sci., 87, 1547 (1967)
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PATENTS

PATENTS

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INTERNET

INTERNET

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