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Dexloxiglumide 2mg

CAT: 0628-A18541-2Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0628-A18541-2Size:2 mg
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CAS Number
119817-90-2

Chemical Information

Dexloxiglumide

Dexloxiglumide is a glutamic acid derivative.

CAS Number119817-90-2
PubChem CID65937
IUPAC Name(4R)-4-[(3,4-dichlorobenzoyl)amino]-5-[3-methoxypropyl(pentyl)amino]-5-oxopentanoic acid
Molecular FormulaC21H30Cl2N2O5
Molecular Weight461.4
XLogP3.9
Topological Polar Surface Area95.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count14
Heavy Atom Count30
Formal Charge0
Complexity549
SMILES
CCCCCN(CCCOC)C(=O)[C@@H](CCC(=O)O)NC(=O)C1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C21H30Cl2N2O5/c1-3-4-5-11-25(12-6-13-30-2)21(29)18(9-10-19(26)27)24-20(28)15-7-8-16(22)17(23)14-15/h7-8,14,18H,3-6,9-13H2,1-2H3,(H,24,28)(H,26,27)/t18-/m1/s1
InChIKey
QNQZBKQEIFTHFZ-GOSISDBHSA-N
Chemical Structure
2D Structure
2D structure of Dexloxiglumide
CAS: 119817-90-2
CID: 65937
Formula: C21H30Cl2N2O5
MW: 461.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight461.4
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count14
Exact Mass460.1531774
Monoisotopic Mass460.1531774
Topological Polar Surface Area95.9 Ų
Heavy Atom Count30
Formal Charge0
Complexity549
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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