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61-76-7 molecular structure
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3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol hydrochloride

ChemBase ID: 73208
Molecular Formular: C9H14ClNO2
Molecular Mass: 203.66596
Monoisotopic Mass: 203.07130637
SMILES and InChIs

SMILES:
c1(cccc(c1)[C@H](CNC)O)O.Cl
Canonical SMILES:
CNC[C@@H](c1cccc(c1)O)O.Cl
InChI:
InChI=1S/C9H13NO2.ClH/c1-10-6-9(12)7-3-2-4-8(11)5-7;/h2-5,9-12H,6H2,1H3;1H/t9-;/m0./s1
InChIKey:
OCYSGIYOVXAGKQ-FVGYRXGTSA-N

Cite this record

CBID:73208 http://www.chembase.cn/molecule-73208.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol hydrochloride
IUPAC Traditional name
phenylephrine hydrochloride
Synonyms
Phenylephrine hydrochloride
L-PHENYLEPHRINE HYDROCHLORIDE USP GRADE
L-PHENYLEPHRINE HYDROCHLORIDE
(R)-(-)-Phenylephrine hydrochloride
(R)-(-)-1-(3-Hydroxyphenyl)-2-methylaminoethanol hydrochloride
(R)-(-)-3-Hydroxy-α-(methylaminomethyl)benzyl alcohol hydrochloride
Phenylephrini hydrochloridum
(αR)-3-Hydroxy-α-[(methylamino)methyl]benzenemethanol Hydrochloride
(-)-m-Hydroxy-α-[(methylamino)methyl]benzyl Alcohol Hydrochloride
Isophrin Hydrochloride
Levophenylephrine Hydrochloride
Lexatol
M-Sympatol
(R)-Phenylephrine Hydrochloride
(R)-(-)-3-羟基-α-(甲氨基甲基)苄醇 盐酸盐
(R)-(-)-1-(3-羟基苯基)-2-甲氨基乙醇 盐酸盐
(R)-(-)-去氧肾上腺素 盐酸盐
盐酸去氧肾上腺素
CAS Number
61-76-7
EC Number
200-517-3
MDL Number
MFCD00012605
Beilstein Number
4158948
PubChem SID
162038128
24889470
24898912
24277799
PubChem CID
5284443

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.067801  H Acceptors
H Donor LogD (pH = 5.5) -2.5509999 
LogD (pH = 7.4) -1.3510551  Log P -0.070160724 
Molar Refractivity 47.2494 cm3 Polarizability 18.594257 Å3
Polar Surface Area 52.49 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Solubility
Ethanol expand Show data source
Methanol expand Show data source
Apperance
powder expand Show data source
White Solid expand Show data source
Melting Point
140-145 °C expand Show data source
142-145°C expand Show data source
143-145 °C(lit.) expand Show data source
Optical Rotation
[α]20/D -45±2°, c = 5% in H2O expand Show data source
Storage Condition
-20°C expand Show data source
Hygroscopic, -20°C Freezer, Under Inert Atmosphere expand Show data source
Room Temperature (15-30°C) expand Show data source
RTECS
DO7525000 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
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
R:22 expand Show data source
Safety Statements
26-36 expand Show data source
S:36/37/39 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-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves expand Show data source
Storage Temperature
2-8°C expand Show data source
Target
adrenergic receptor expand Show data source
Gene Information
human ... ADRA1A(148), ADRA1B(147), ADRA1D(146) expand Show data source
Purity
≥98.0% (CHN) expand Show data source
99% expand Show data source
Grade
analytical standard expand Show data source
Ph Eur expand Show data source
purum expand Show data source
USP expand Show data source
Salt Data
hcl expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Download expand Show data source
Packaging
vial of 250 mg expand Show data source
Pharmacopeia
testing & handling conforms to Pharmacopeia expand Show data source
Pharmacopeia Traceability
traceable to BP 284 expand Show data source
traceable to PhEur P1250000 expand Show data source
traceable to USP 1533002 expand Show data source
Linear Formula
HOC6H4CH(CH2NHCH3)OH·HCl expand Show data source

DETAILS

DETAILS

Selleck Chemicals Selleck Chemicals MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich TRC TRC
Selleck Chemicals - S2569 external link
Research Area: cancer
Biological Activity:
Phenylephrine hydrochloride used primarily as a decongestant, as an agent to dilate the pupil, and to increase blood pressure. Phenylephrine has recently been marketed as a substitute for pseudoephedrine.
MP Biomedicals - 02195380 external link
Hydrochloride
Purity: 99%
α1 -adrenergic agonist
MP Biomedicals - 05216518 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 11529 external link
Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Sigma Aldrich - P8155 external link
Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Biochem/physiol Actions
α-Adrenergic agonist
包装
Supplied in amber screw-cap vials
Sigma Aldrich - P6126 external link
Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Biochem/physiol Actions
α1-adrenoceptor agonist.
包装
5, 10, 25, 50, 100 g in glass bottle
Sigma Aldrich - 91312 external link
Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Toronto Research Chemicals - P320640 external link
α-Adrenergic agonist. Mydriatic; decongestant.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Warren, M.R., et al.: J. Pharmacol. Exp. Ther., 86, 284 (1946)
  • • Gaglia, C.A., et al.: Anal. Profiles Drug Subs., 3, 483 (1974)
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PATENTS

PATENTS

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INTERNET

INTERNET

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