Dutogliptin TartrateProduct ingredient for Dutogliptin

Name
Dutogliptin Tartrate
Drug Entry
Dutogliptin

Dutogliptin has been investigated for the treatment of Diabetes Mellitus, Type II.

Accession Number
DBSALT002056
Structure
Thumb
Synonyms
Not Available
UNII
79QH89EV9M
CAS Number
890402-81-0
Weight
Average: 391.18
Monoisotopic: 391.176209
Chemical Formula
C14H26BN3O9
InChI Key
SVWHNLVZPGXBNS-MHDNXTQBSA-N
InChI
InChI=1S/C10H20BN3O3.C4H6O6/c15-10(7-13-8-3-4-12-6-8)14-5-1-2-9(14)11(16)17;5-1(3(7)8)2(6)4(9)10/h8-9,12-13,16-17H,1-7H2;1-2,5-6H,(H,7,8)(H,9,10)/t8-,9+;1-,2-/m11/s1
IUPAC Name
(2R,3R)-2,3-dihydroxybutanedioic acid; [(2R)-1-(2-{[(3R)-pyrrolidin-3-yl]amino}acetyl)pyrrolidin-2-yl]boronic acid
SMILES
O[C@H]([C@@H](O)C(O)=O)C(O)=O.OB(O)[C@@H]1CCCN1C(=O)CN[C@@H]1CCNC1
External Links
ChemSpider
13090928
Predicted Properties
PropertyValueSource
Water Solubility6.93 mg/mLALOGPS
logP-1.1ALOGPS
logP-2.4ChemAxon
logS-1.5ALOGPS
pKa (Strongest Acidic)8.63ChemAxon
pKa (Strongest Basic)10.1ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area84.83 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity58.91 m3·mol-1ChemAxon
Polarizability25.91 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon