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L-Phenylephrine

CAT: 0931-T68997-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T68997-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
614-03-9
Target
Others
Related Pathways
Others
Bioactivity
L-Phenylephrine is an alpha-adrenergic agonist used as a mydriatic, nasal decongestant, and cardiotonic agent.
Smiles
[C@H](CNC)(O)C1=CC(O)=CC=C1
Molecular Formula
C9H13NO2
Molecular Weight
167.21
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Phenylephrine, (S)-
CAS Number614-03-9
PubChem CID71546
IUPAC Name3-[(1S)-1-hydroxy-2-(methylamino)ethyl]phenol
Molecular FormulaC9H13NO2
Molecular Weight167.20
XLogP-0.3
Topological Polar Surface Area52.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity130
SMILES
CNC[C@H](C1=CC(=CC=C1)O)O
InChI
InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/m1/s1
InChIKey
SONNWYBIRXJNDC-SECBINFHSA-N
Chemical Structure
2D Structure
2D structure of Phenylephrine, (S)-
CAS: 614-03-9
CID: 71546
Formula: C9H13NO2
MW: 167.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight167.20
XLogP3-0.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass167.094628657
Monoisotopic Mass167.094628657
Topological Polar Surface Area52.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity130
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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