Tilarginine acetateProduct ingredient for Tilarginine

Show full entry for Tilarginine
Name
Tilarginine acetate
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
DBSALT002593
Structure
Similar Structures
Synonyms
N(G)-Methyl-L-arginine acetate / N(G)-Monomethyl-L-arginine / N5-(Imino(methylamino)methyl)-L-ornithine monoacetate / Targinine acetate
External IDs
ANO 1020 / ANO-1020
UNII
2FL3530AF2
CAS Number
53308-83-1
Weight
Average: 248.283
Monoisotopic: 248.14845514
Chemical Formula
C9H20N4O4
InChI Key
IKPNWIGTWUZCKM-JEDNCBNOSA-N
InChI
InChI=1S/C7H16N4O2.C2H4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13;1-2(3)4/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11);1H3,(H,3,4)/t5-;/m0./s1
IUPAC Name
(2S)-2-amino-5-(N'-methylcarbamimidamido)pentanoic acid; acetic acid
SMILES
CC(O)=O.CNC(=N)NCCC[C@H](N)C(O)=O
ChemSpider
119146
ChEMBL
CHEMBL1256175
Wikipedia
Methylarginine
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
Polarizability20.09 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon