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Butabindide

CAT: 0013-GTR19153956-03Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19153956-03Size:1 g
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Description
Butabindide is a potent inhibitor of cholecystokinin-inactivating peptidase/tripeptidyl peptidase 2 (CCK-inactivating peptidase/TPP-2; Ki = 7 nM) .1 It is selective for CCK-inactivating peptidase/TPP-2 over a panel of serine proteases (Kis = > 1 μM) as well as CCK receptors (Kis = > 0.1 mM) .
CAS Number
185213-03-0
Purity
>98%
Smiles
O=C (NCCCC) [C@H]1N (C ([C@@H] (N) CC) =O) C2=CC=CC=C2C1.OC (C (O) =O) =O
Molecular Formula
C17H25N3O2.C2H2O4
Molecular Weight
393.4
Notes
For research use only.

Chemical Information

Butabindide oxalate
CAS Number185213-03-0
PubChem CID56972132
IUPAC Name(2S)-1-[(2S)-2-aminobutanoyl]-N-butyl-2,3-dihydroindole-2-carboxamide;oxalic acid
Molecular FormulaC19H27N3O6
Molecular Weight393.4
Topological Polar Surface Area150
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity471
SMILES
CCCCNC(=O)[C@@H]1CC2=CC=CC=C2N1C(=O)[C@H](CC)N.C(=O)(C(=O)O)O
InChI
InChI=1S/C17H25N3O2.C2H2O4/c1-3-5-10-19-16(21)15-11-12-8-6-7-9-14(12)20(15)17(22)13(18)4-2;3-1(4)2(5)6/h6-9,13,15H,3-5,10-11,18H2,1-2H3,(H,19,21);(H,3,4)(H,5,6)/t13-,15-;/m0./s1
InChIKey
KKMJFDVOXSGHBF-SLHAJLBXSA-N
Chemical Structure
2D Structure
2D structure of Butabindide oxalate
CAS: 185213-03-0
CID: 56972132
Formula: C19H27N3O6
MW: 393.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight393.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass393.18998559
Monoisotopic Mass393.18998559
Topological Polar Surface Area150 Ų
Heavy Atom Count28
Formal Charge0
Complexity471
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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