MGB

METHYLGLYOXAL BIS-(GUANYLHYDRAZONE)

Created:	2001-03-14
Last modified:	2011-06-04

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1 entries where MGB is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	0
Bond Count	24
Aromatic Bond Count	0

2D diagram of MGB

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Chemical Component Summary
Name	METHYLGLYOXAL BIS-(GUANYLHYDRAZONE)
Systematic Name (OpenEye OEToolkits)	1-[2-(carbamimidoylhydrazinylidene)propylideneamino]guanidine
Formula	C₅ H₁₂ N₈
Molecular Weight	184.202
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	N(/NC(=[N@H])N)=C\C(=N\NC(=[N@H])N)C
SMILES	CACTVS	3.341	CC(C=NNC(N)=N)=NNC(N)=N
SMILES	OpenEye OEToolkits	1.5.0	[H]N=C(N)NN=CC(=NNC(=N)N)C
Canonical SMILES	CACTVS	3.341	CC(/C=N/NC(N)=N)=N\NC(N)=N
Canonical SMILES	OpenEye OEToolkits	1.5.0	[H]/N=C(\N)/N/N=C/C(=NNC(=N)N)C
InChI	InChI	1.03	InChI=1S/C5H12N8/c1-3(11-13-5(8)9)2-10-12-4(6)7/h2H,1H3,(H4,6,7,12)(H4,8,9,13)/b10-2+,11-3+
InChIKey	InChI	1.03	MXWHMTNPTTVWDM-NXOFHUPFSA-N

Drug Info: DrugBank

DrugBank ID	DB12967
Name	Mitoguazone
Groups	investigational
Description	Mitoguazone has been used in trials studying the treatment of Lymphoma, HIV Infections, and Lymphoma, Non-Hodgkin.
Synonyms	Mitoguazona Me-GAG Mitoguazonum Mitoguazone dihydrochloride Methyl-G Mitoguazone
Categories	Amidines Antineoplastic Agents Antineoplastic and Immunomodulating Agents Enzyme Inhibitors Guanidines
ATC-Code	L01XX16
CAS number	459-86-9

Related Resource References

Resource Name	Reference
PubChem	5351154
ChEMBL	CHEMBL216913
ChEBI	CHEBI:43996
CCDC/CSD	PALRUT, PALRON

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.