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Tarazepide

CAT: 0931-T13084-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T13084-02Size:50 mg
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CAS Number
141374-81-4
Target
Cholecystokinin Receptor, Others
Related Pathways
Others, GPCR/G Protein
Bioactivity
Tarazepide is a potent and specific antagonist of the CCK-A receptor.
Smiles
C(N[C@H]1N=C(C=2C(N(C)C1=O)=CC=CC2)C3=CC=CC=C3)(=O)C=4N5C=6C(C4)=CC=CC6CCC5
Molecular Formula
C28H24N4O2
Molecular Weight
448.52
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Tarazepide

Tarazepide is a N-acyl-amino acid.

CAS Number141374-81-4
PubChem CID10343641
IUPAC NameN-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide
Molecular FormulaC28H24N4O2
Molecular Weight448.5
XLogP4.6
Topological Polar Surface Area66.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count34
Formal Charge0
Complexity821
SMILES
CN1C2=CC=CC=C2C(=N[C@@H](C1=O)NC(=O)C3=CC4=C5N3CCCC5=CC=C4)C6=CC=CC=C6
InChI
InChI=1S/C28H24N4O2/c1-31-22-15-6-5-14-21(22)24(18-9-3-2-4-10-18)29-26(28(31)34)30-27(33)23-17-20-12-7-11-19-13-8-16-32(23)25(19)20/h2-7,9-12,14-15,17,26H,8,13,16H2,1H3,(H,30,33)/t26-/m1/s1
InChIKey
CZPILLBHPRAPCB-AREMUKBSSA-N
Chemical Structure
2D Structure
2D structure of Tarazepide
CAS: 141374-81-4
CID: 10343641
Formula: C28H24N4O2
MW: 448.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight448.5
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass448.18992602
Monoisotopic Mass448.18992602
Topological Polar Surface Area66.7 Ų
Heavy Atom Count34
Formal Charge0
Complexity821
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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