GAI

GUANIDINE

Created: 1999-07-08
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count9
Chiral Atom Count0
Bond Count8
Aromatic Bond Count0
2D diagram of GAI
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Chemical Component Summary

NameGUANIDINE
Systematic Name (OpenEye OEToolkits)guanidine
FormulaC H5 N3
Molecular Weight59.07
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04[N@H]=C(N)N
SMILESCACTVS3.341NC(N)=N
SMILESOpenEye OEToolkits1.5.0C(=N)(N)N
Canonical SMILESCACTVS3.341 NC(N)=N
Canonical SMILESOpenEye OEToolkits1.5.0 C(=N)(N)N
InChIInChI1.03 InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)
InChIKeyInChI1.03 ZRALSGWEFCBTJO-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB00536 
NameGuanidine
Groups approved
DescriptionA strong organic base existing primarily as guanidium ions at physiological pH. It is found in the urine as a normal product of protein metabolism. It is also used in laboratory research as a protein denaturant. (From Martindale, the Extra Pharmacopoeia, 30th ed and Merck Index, 12th ed) It is also used in the treatment of myasthenia and as a fluorescent probe in HPLC.
Synonyms
  • Gu
  • Guanidine hydrochloride
  • Aminomethanamidine
  • Guanidin
  • Iminourea
Brand NamesGuanidine hydrochloride
IndicationFor the reduction of the symptoms of muscle weakness and easy fatigability associated with the myasthenic syndrome of Eaton-Lambert. It is not indicated for treating myasthenia gravis.
Categories
  • Acetylcholine Releasing Agent
  • Amidines
  • Guanidines
  • Increased Acetylcholine Activity
  • MATE 1 Substrates
CAS number113-00-8

Drug Targets

NameTarget SequencePharmacological ActionActions
Aldehyde dehydrogenase, mitochondrialMLRAAARFGPRLGRRLLSAAATQAVPAPNQQPEVFCNQIFINNEWHDAVS...unknowninhibitor
Ribonuclease pancreaticMALEKSLVRLLLLVLILLVLGWVQPSLGKESRAKKFQRQHMDSDSSPSSS...unknown
DNA-unknown
Disks large homolog 4MDCLCIVTTKKYRYQDEDTPPLEHSPAHLPNQANSPPVIVNTDTLEAPGY...unknown
LysozymeMNIFEMLRIDERLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAI...unknown
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Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
Pharos CHEMBL821
PubChem 3520
ChEMBL CHEMBL821
ChEBI CHEBI:42820
CCDC/CSD AJAPIL01, AJAPIL04, AJAPIL03, AJAPIL02, AJAPIL06, AJAPIL, AJAPIL05
COD 4507696, 4507697