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305-84-0

305-84-0 structural image
Product Name: L-Carnosine
Formula: C9H14N4O3
Synonyms: β-Alanyl-L-histidine
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid; [Merck Index] White crystalline solid; [Sigma-Aldrich MSDS]
Melting Point 253 - 256 °C
Solubility 384 mg/mL
Collision Cross Section 151 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]
Chemical Classes Biological Agents -> Amino Acids and Derivatives

COMPUTED DESCRIPTORS

Molecular Weight 226.23 g/mol
XLogP3 -4
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 6
Exact Mass 226.10659032 g/mol
Monoisotopic Mass 226.10659032 g/mol
Topological Polar Surface Area 121 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 259
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

Description

Carnosine is a dipeptide that is the N-(beta-alanyl) derivative of L-histidine. It has a role as an anticonvulsant, an antioxidant, an antineoplastic agent, a human metabolite, a Daphnia magna metabolite, a mouse metabolite, a neuroprotective agent and a geroprotector. It is a conjugate acid of a carnosinate and a tautomer of a carnosine zwitterion.

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