Tilarginine hydrochlorideProduct ingredient for Tilarginine

Show full entry for Tilarginine
Name
Tilarginine hydrochloride
Drug Entry
Tilarginine

Tilarginine has been investigated for the basic science, treatment, and diagnostic of Obesity, Type 2 Diabetes, Ocular Physiology, and Regional Blood Flow.

See full entry for Tilarginine
Accession Number
DBSALT002083
Structure
Similar Structures
Synonyms
Tilarginine HCl
UNII
0MT60FH25O
CAS Number
156706-47-7
Weight
Average: 224.69
Monoisotopic: 224.1040035
Chemical Formula
C7H17ClN4O2
InChI Key
QYGXVJHXZUSLQC-JEDNCBNOSA-N
InChI
InChI=1S/C7H16N4O2.ClH/c1-10-7(9)11-4-2-3-5(8)6(12)13;/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11);1H/t5-;/m0./s1
IUPAC Name
(2S)-2-amino-5-(N'-methylcarbamimidamido)pentanoic acid hydrochloride
SMILES
Cl.CNC(=N)NCCC[C@H](N)C(O)=O
ChemSpider
154936
Predicted Properties
PropertyValueSource
Water Solubility1.45 mg/mLALOGPS
logP-3.5ALOGPS
logP-2.9Chemaxon
logS-2.1ALOGPS
pKa (Strongest Acidic)2.48Chemaxon
pKa (Strongest Basic)12.64Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count5Chemaxon
Polar Surface Area111.23 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity58.7 m3·mol-1Chemaxon
Polarizability20.1 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon