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Ceclazepide

CAT: 1410-M12743-01Size: 1 EachDry Ice: NoHazardous: No
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Description
A potent, selective cholecystokinin receptor CCK2 antagonist for treatment of gastroesophageal reflux disease (GERD) .
CAS Number
1801749-44-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
556.623
Molecular Formula
C30H32N6O5
Notes
Research use only, not for human use.
Receptor
Cholecystokinin Receptor

Chemical Information

Ceclazepide
CAS Number1801749-44-9
PubChem CID100951591
IUPAC Name[2,2-dimethyl-4-[(3R)-3-[[3-(methylamino)phenyl]carbamoylamino]-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-1-yl]-3-oxobutyl] acetate
Molecular FormulaC30H32N6O5
Molecular Weight556.6
XLogP3.2
Topological Polar Surface Area142
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count41
Formal Charge0
Complexity1000
SMILES
CC(=O)OCC(C)(C)C(=O)CN1C2=CC=CC=C2C(=N[C@H](C1=O)NC(=O)NC3=CC=CC(=C3)NC)C4=CC=CC=N4
InChI
InChI=1S/C30H32N6O5/c1-19(37)41-18-30(2,3)25(38)17-36-24-14-6-5-12-22(24)26(23-13-7-8-15-32-23)34-27(28(36)39)35-29(40)33-21-11-9-10-20(16-21)31-4/h5-16,27,31H,17-18H2,1-4H3,(H2,33,35,40)/t27-/m0/s1
InChIKey
GPEYTRIZYSZRRK-MHZLTWQESA-N
Chemical Structure
2D Structure
2D structure of Ceclazepide
CAS: 1801749-44-9
CID: 100951591
Formula: C30H32N6O5
MW: 556.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight556.6
XLogP33.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass556.24341814
Monoisotopic Mass556.24341814
Topological Polar Surface Area142 Ų
Heavy Atom Count41
Formal Charge0
Complexity1000
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

Alternative Products

CatalogName
GTR19197937-01Ceclazepide

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