CAS 5037-75-2 3-Benzyl-3,6-dihydropyrazine-2,5-diol (HCID 138409)

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Basic information

CAS: 5037-75-2
Standard SMILES: O=C1CNC(=O)C(Cc2ccccc2)N1
InChIKey: UZOJHXFWJFSFAI-UHFFFAOYSA-N
Molecular formula: C11H12N2O2
Average molar mass: 204.22 g/mol

Names & identifiers

Preferred name: 3-Benzyl-3,6-dihydropyrazine-2,5-diol
IUPAC: 3-benzylpiperazine-2,5-dione
English name: Cyclo(Phe-Gly)
Molecular formula: C11H12N2O2
Molecular weight: 204.23

Names & synonyms

DTXSID709646403-Benzyl-3,6-dihydropyrazine-2,5-diolRefChem:1067376DTXCID901392332Cyclo(Phe-Gly)3-benzylpiperazine-2,5-dione5037-75-23-Benzyl-piperazine-2,5-dione3-Benzoylpiperazine-2,5-dioneCyclo(-Gly-L-Phe)2,5-Piperazinedione, 3-(phenylmethyl)-MFCD00458732

Show more names

c(Phe-Gly)3-(phenylmethyl)-2,5-PiperazinedioneCyclo(Phe-Gly)/3-Benzylpiperazine-2,5-dione

3-benzyl-piperazine-2,5dione3-Benzyl-2,5-piperazinedioneorb1680078SCHEMBL1598687SCHEMBL17966409Piperazine-2,5-dione, 3-benzyl-3,6-dioxo-5-phenylmethylpiperazineTN6682

Database identifiers

CAS: 5037-75-2
PubChem CID: 138409
DTXSID: DTXSID70964640

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 58.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 259

Physicochemical properties

form: Solid
color: White to off-white
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Chemistry & industry

Applications

UsesCyclo(Phe-Gly) is a cyclodipeptides with antimicrobial and anticancer activities, isolated from broth culture of endophytic Streptomyces YIM 64018 associated with Paraboea sinensis[1].