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Spiroglumide

CAT: 0127-BUP11616-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP11616-01Size:5 mg
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CAS Number
137795-35-8
Synonyms
CR-2194
Purity
=98%
Smiles
C([C@H](NC(=O)C1=CC(Cl)=CC(Cl)=C1)CCC(O)=O)(=O)N2CCC3(CC2)CCCC3

Chemical Information

Spiroglumide

Spiroglumide is a small molecule drug. Spiroglumide has a monoisotopic molecular weight of 440.13 Da.

CAS Number137795-35-8
PubChem CID65987
IUPAC Name(4R)-5-(8-azaspiro[4.5]decan-8-yl)-4-[(3,5-dichlorobenzoyl)amino]-5-oxopentanoic acid
Molecular FormulaC21H26Cl2N2O4
Molecular Weight441.3
XLogP4.4
Topological Polar Surface Area86.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity604
SMILES
C1CCC2(C1)CCN(CC2)C(=O)[C@@H](CCC(=O)O)NC(=O)C3=CC(=CC(=C3)Cl)Cl
InChI
InChI=1S/C21H26Cl2N2O4/c22-15-11-14(12-16(23)13-15)19(28)24-17(3-4-18(26)27)20(29)25-9-7-21(8-10-25)5-1-2-6-21/h11-13,17H,1-10H2,(H,24,28)(H,26,27)/t17-/m1/s1
InChIKey
FJCZHMXAGBYXHJ-QGZVFWFLSA-N
Chemical Structure
2D Structure
2D structure of Spiroglumide
CAS: 137795-35-8
CID: 65987
Formula: C21H26Cl2N2O4
MW: 441.3
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight441.3
XLogP34.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass440.1269627
Monoisotopic Mass440.1269627
Topological Polar Surface Area86.7 Ų
Heavy Atom Count29
Formal Charge0
Complexity604
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-169139-01Spiroglumide

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