BHH

N-BUTYL-N'-HYDROXYGUANIDINE

Created:	2002-06-25
Last modified:	2011-06-04

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1 entries where BHH is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	0
Bond Count	21
Aromatic Bond Count	0

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Chemical Component Summary
Name	N-BUTYL-N'-HYDROXYGUANIDINE
Systematic Name (OpenEye OEToolkits)	1-butyl-3-hydroxy-guanidine
Formula	C₅ H₁₃ N₃ O
Molecular Weight	131.176
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	[N@H]=C(NCCCC)NO
SMILES	CACTVS	3.341	CCCCNC(=N)NO
SMILES	OpenEye OEToolkits	1.5.0	CCCCNC(=N)NO
Canonical SMILES	CACTVS	3.341	CCCCNC(=N)NO
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCNC(=N)NO
InChI	InChI	1.03	InChI=1S/C5H13N3O/c1-2-3-4-7-5(6)8-9/h9H,2-4H2,1H3,(H3,6,7,8)
InChIKey	InChI	1.03	ULDDTFAPYWLDGF-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB02727
Name	2-butyl-1-hydroxyguanidine
Groups	experimental
Synonyms	N-butyl-N'-hydroxyguanidine 2-butyl-1-hydroxyguanidine
Categories	Amidines
CAS number	140215-98-1

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Nitric oxide synthase, brain	MEDHMFGVQQIQPNVISVRLFKRKVGGLGFLVKERVSKPPVIISDLIRGG...	unknown

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