Carnosine NitrateProduct ingredient for Carnosine

Name
Carnosine Nitrate
Drug Entry
Carnosine

Carnosine has been investigated for the treatment of Gulf War Illness.

Accession Number
DBSALT002050
Structure
Synonyms
Not Available
UNII
1059P8M705
CAS Number
5852-98-2
Weight
Average: 289.248
Monoisotopic: 289.102233223
Chemical Formula
C9H15N5O6
InChI Key
CPZFLUMGMDPGIE-FJXQXJEOSA-N
InChI
InChI=1S/C9H14N4O3.HNO3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6;2-1(3)4/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16);(H,2,3,4)/t7-;/m0./s1
IUPAC Name
(2S)-2-(3-aminopropanamido)-3-(1H-imidazol-5-yl)propanoic acid; nitric acid
SMILES
O[N+]([O-])=O.NCCC(=O)N[C@@H](CC1=CN=CN1)C(O)=O
ChemSpider
32698831
Predicted Properties
PropertyValueSource
Water Solubility11.1 mg/mLALOGPS
logP-3ALOGPS
logP-4.5Chemaxon
logS-1.3ALOGPS
pKa (Strongest Acidic)3.37Chemaxon
pKa (Strongest Basic)9.13Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area121.1 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity55.56 m3·mol-1Chemaxon
Polarizability22.37 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon