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(R) -Fadrozole phosphate

CAT: 0013-GTR19242768-01Size: 50 mgDry Ice: NoHazardous: No
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Description
Fadrozole is a potent and selective non-steroidal aromatase inhibitor. It is extensively used in research models of hormone-dependent breast cancer to study estrogen suppression, with applications in both in vitro enzyme assays and in vivo xenograft studies.
CAS Number
2743427-54-3
Field of Research
Pharmacology & Drug Discovery
Smiles
P (=O) (O) (O) O.C (#N) C1=CC=C ([C@@H]2N3C (CCC2) =CN=C3) C=C1
Molecular Formula
C14H16N3O4P
Molecular Weight
321.27
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(R)-Fadrozole phosphate
CAS Number2743427-54-3
PubChem CID156133534
IUPAC Namephosphoric acid;4-[(5R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile
Molecular FormulaC14H16N3O4P
Molecular Weight321.27
Topological Polar Surface Area119
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count22
Formal Charge0
Complexity360
SMILES
C1C[C@@H](N2C=NC=C2C1)C3=CC=C(C=C3)C#N.OP(=O)(O)O
InChI
InChI=1S/C14H13N3.H3O4P/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14;1-5(2,3)4/h4-7,9-10,14H,1-3H2;(H3,1,2,3,4)/t14-;/m1./s1
InChIKey
QPMXWEHWAGTWOC-PFEQFJNWSA-N
Chemical Structure
2D Structure
2D structure of (R)-Fadrozole phosphate
CAS: 2743427-54-3
CID: 156133534
Formula: C14H16N3O4P
MW: 321.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight321.27
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass321.08784300
Monoisotopic Mass321.08784300
Topological Polar Surface Area119 Ų
Heavy Atom Count22
Formal Charge0
Complexity360
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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