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PF-9404C

CAT: 0013-GTR19196739-03Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196739-03Size:25 mg
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Description
PF-9404C is the S, S-diesteroisomer of a beta-adrenergic receptor blocker that also exhibits vasodilatory properties. In research, it has been shown to significantly elevate cyclic GMP levels in rat aortic smooth muscle cells, making it a useful compound for studying vascular smooth muscle physiology and receptor signaling pathways in vitro.
CAS Number
780825-97-0
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
O=[N+] (O[C@H] (CO[N+] ([O-]) =O) COCC (C=C1) =CC=C1OC[C@@H] (O) CNC (C) C) [O-]
Molecular Formula
C16H25N3O9
Molecular Weight
403.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

PF-9404C
CAS Number780825-97-0
PubChem CID10476270
IUPAC Name[(2S)-1-[[4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methoxy]-3-nitrooxypropan-2-yl] nitrate
Molecular FormulaC16H25N3O9
Molecular Weight403.38
XLogP1.8
Topological Polar Surface Area161
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count13
Heavy Atom Count28
Formal Charge0
Complexity448
SMILES
CC(C)NC[C@@H](COC1=CC=C(C=C1)COC[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-])O
InChI
InChI=1S/C16H25N3O9/c1-12(2)17-7-14(20)9-26-15-5-3-13(4-6-15)8-25-10-16(28-19(23)24)11-27-18(21)22/h3-6,12,14,16-17,20H,7-11H2,1-2H3/t14-,16-/m0/s1
InChIKey
FIAGQHFOTZHMQM-HOCLYGCPSA-N
Chemical Structure
2D Structure
2D structure of PF-9404C
CAS: 780825-97-0
CID: 10476270
Formula: C16H25N3O9
MW: 403.38
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight403.38
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count13
Exact Mass403.15907938
Monoisotopic Mass403.15907938
Topological Polar Surface Area161 Ų
Heavy Atom Count28
Formal Charge0
Complexity448
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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