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Lorglumide

CAT: 0013-GTR19274273-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19274273-01Size:50 mg
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Description
Lorglumide (CR-1409) is a potent cholecystokinin (CCK) receptor antagonist. It is employed in studies involving pancreatic secretion and growth.
CAS Number
97964-56-2
Smiles
O=C (NC (C (=O) N (CCCCC) CCCCC) CCC (=O) O) C1=CC=C (Cl) C (Cl) =C1
Molecular Formula
C22H32Cl2N2O4
Molecular Weight
459.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Lorglumide

N(2)-(3,4-dichlorobenzoyl)-N,N-dipentyl-alpha-glutamine is a dicarboxylic acid monoamide obtained by formal condensation of the alpha-carboxy group of N-(3,4-dichlorobenzoyl)glutamic acid with the amino group of dipentylamine. It is a member of benzamides, a dichlorobenzene, a glutamic acid derivative and a dicarboxylic acid monoamide.

CAS Number97964-56-2
PubChem CID3960
IUPAC Name4-[(3,4-dichlorobenzoyl)amino]-5-(dipentylamino)-5-oxopentanoic acid
Molecular FormulaC22H32Cl2N2O4
Molecular Weight459.4
XLogP5.5
Topological Polar Surface Area86.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count14
Heavy Atom Count30
Formal Charge0
Complexity537
SMILES
CCCCCN(CCCCC)C(=O)C(CCC(=O)O)NC(=O)C1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C22H32Cl2N2O4/c1-3-5-7-13-26(14-8-6-4-2)22(30)19(11-12-20(27)28)25-21(29)16-9-10-17(23)18(24)15-16/h9-10,15,19H,3-8,11-14H2,1-2H3,(H,25,29)(H,27,28)
InChIKey
IEKOTSCYBBDIJC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lorglumide
CAS: 97964-56-2
CID: 3960
Formula: C22H32Cl2N2O4
MW: 459.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight459.4
XLogP35.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count14
Exact Mass458.1739129
Monoisotopic Mass458.1739129
Topological Polar Surface Area86.7 Ų
Heavy Atom Count30
Formal Charge0
Complexity537
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes