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Brocresine

CAT: 0931-T23822-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T23822-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
555-65-7
Target
Others, Endogenous Metabolite
Related Pathways
Metabolism, Others
Bioactivity
Brocresine is an aromatic L-amino acid decarboxylase inhibitor. It has both a peripheral and central action.
Smiles
NOCc1ccc(Br)c(O)c1
Molecular Formula
C7H8BrNO2
Molecular Weight
218.05
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Brocresin

Brocresine is a small molecule drug. Brocresine has a monoisotopic molecular weight of 216.97 Da.

CAS Number555-65-7
PubChem CID11151
IUPAC Name5-(aminooxymethyl)-2-bromophenol
Molecular FormulaC7H8BrNO2
Molecular Weight218.05
XLogP1.2
Topological Polar Surface Area55.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity123
SMILES
C1=CC(=C(C=C1CON)O)Br
InChI
InChI=1S/C7H8BrNO2/c8-6-2-1-5(4-11-9)3-7(6)10/h1-3,10H,4,9H2
InChIKey
QNWOSJAGFSUDFE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Brocresin
CAS: 555-65-7
CID: 11151
Formula: C7H8BrNO2
MW: 218.05
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight218.05
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass216.97384
Monoisotopic Mass216.97384
Topological Polar Surface Area55.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity123
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5773587Brocresine

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