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Todralazine

CAT: 0931-T17112-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T17112-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
14679-73-3
Target
Others, Adrenergic Receptor
Related Pathways
Neuroscience, Others, GPCR/G Protein
Bioactivity
Todralazine is an anti-hypertensive agent and acts as a β2AR blocker. It also has an antioxidant and free radical scavenging activity.
Smiles
N(NC(OCC)=O)C=1C2=C(C=NN1)C=CC=C2
Molecular Formula
C11H12N4O2
Molecular Weight
232.24
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Todralazine

N-(1-phthalazinylamino)carbamic acid ethyl ester is a member of phthalazines.

CAS Number14679-73-3
PubChem CID5501
IUPAC Nameethyl N-(phthalazin-1-ylamino)carbamate
Molecular FormulaC11H12N4O2
Molecular Weight232.24
XLogP1.7
Topological Polar Surface Area76.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count17
Formal Charge0
Complexity262
SMILES
CCOC(=O)NNC1=NN=CC2=CC=CC=C21
InChI
InChI=1S/C11H12N4O2/c1-2-17-11(16)15-14-10-9-6-4-3-5-8(9)7-12-13-10/h3-7H,2H2,1H3,(H,13,14)(H,15,16)
InChIKey
WGZDBVOTUVNQFP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Todralazine
CAS: 14679-73-3
CID: 5501
Formula: C11H12N4O2
MW: 232.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight232.24
XLogP31.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass232.09602564
Monoisotopic Mass232.09602564
Topological Polar Surface Area76.1 Ų
Heavy Atom Count17
Formal Charge0
Complexity262
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
PAA67973Todralazine
HY-B1001A-01Todralazine (hydrochloride)
MBS3615460-01Todralazine hydrochloride
T528055Todralazine hemioxalate salt
467696-01Todralazine Hydrochloride discontinued

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