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Itriglumide

CAT: 1410-M34292-06Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1410-M34292-06Size:50 mg
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Description
Itriglumide (CR-2945) is a cholecystokinin (CCK) -2 receptor antagonist with antisecretory and antiulcerogenic properties.
CAS Number
201605-51-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
526.67
Molecular Formula
C33H38N2O4
Notes
Research use only, not for human use.
Receptor
Cholecystokinin

Chemical Information

Itriglumide

Itriglumide is a small molecule drug. Itriglumide has a monoisotopic molecular weight of 526.28 Da.

CAS Number201605-51-8
PubChem CID6604121
IUPAC Name(3R)-5-[2-(8-azaspiro[4.5]decane-8-carbonyl)-4,6-dimethylanilino]-3-naphthalen-1-yl-5-oxopentanoic acid
Molecular FormulaC33H38N2O4
Molecular Weight526.7
XLogP6.8
Topological Polar Surface Area86.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count39
Formal Charge0
Complexity873
SMILES
CC1=CC(=C(C(=C1)C(=O)N2CCC3(CCCC3)CC2)NC(=O)C[C@H](CC(=O)O)C4=CC=CC5=CC=CC=C54)C
InChI
InChI=1S/C33H38N2O4/c1-22-18-23(2)31(28(19-22)32(39)35-16-14-33(15-17-35)12-5-6-13-33)34-29(36)20-25(21-30(37)38)27-11-7-9-24-8-3-4-10-26(24)27/h3-4,7-11,18-19,25H,5-6,12-17,20-21H2,1-2H3,(H,34,36)(H,37,38)/t25-/m1/s1
InChIKey
MFOOVZCXWVAWOV-RUZDIDTESA-N
Chemical Structure
2D Structure
2D structure of Itriglumide
CAS: 201605-51-8
CID: 6604121
Formula: C33H38N2O4
MW: 526.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight526.7
XLogP36.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass526.28315770
Monoisotopic Mass526.28315770
Topological Polar Surface Area86.7 Ų
Heavy Atom Count39
Formal Charge0
Complexity873
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
HY-106347-01Itriglumide

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