Epoxycreatine structure

Epoxycreatine

2-[carbamimidoyl(oxiran-2-ylmethyl)amino]acetic acid

Also Known As: Epoxycreatine|N-(2,3-Epoxypropyl)-N-amidinoglycine|n-carbamimidoyl-n-(oxiran-2-ylmethyl)glycine|Glycine, N-(aminoiminomethyl)-N-(oxiranylmethyl)-|N-Carbamimidoyl-N-[(oxiran-2-yl)methyl]glycine|2-[carbamimidoyl(oxiran-2-ylmethyl)amino]acetic acid

CAS: 46193-76-4
Molecular Formula C6H11N3O3
Molecular Weight 173.08005 g/mol
LogP -1.5
Topological Polar Surface Area 103.0 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
Rotatable Bonds 5
Exact Mass 173.08005
Monoisotopic Mass 173.08005
Heavy Atoms 12
Complexity 206.0

Chemical Identifiers

CAS Number 46193-76-4
SMILES C1C(O1)CN(CC(=O)O)C(=N)N
InChIKey GEGOVQUAXGTHFG-UHFFFAOYSA-N

Patent-Derived Application Labels

Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.

Analytical Reagents (1 patents) Biotechnology (7 patents)

Product Overview

Epoxycreatine (CAS 46193-76-4), with molecular formula C6H11N3O3 and molecular weight 173.08005 g/mol. IUPAC: 2-[carbamimidoyl(oxiran-2-ylmethyl)amino]acetic acid.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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