IHG

N-ISOPROPYL-N'-HYDROXYGUANIDINE

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

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1 entries where IHG is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	0
Bond Count	18
Aromatic Bond Count	0

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Chemical Component Summary
Name	N-ISOPROPYL-N'-HYDROXYGUANIDINE
Systematic Name (OpenEye OEToolkits)	3-hydroxy-1-propan-2-yl-guanidine
Formula	C₄ H₁₁ N₃ O
Molecular Weight	117.15
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	[N@H]=C(NC(C)C)NO
SMILES	CACTVS	3.341	CC(C)NC(=N)NO
SMILES	OpenEye OEToolkits	1.5.0	CC(C)NC(=N)NO
Canonical SMILES	CACTVS	3.341	CC(C)NC(=N)NO
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(C)NC(=N)NO
InChI	InChI	1.03	InChI=1S/C4H11N3O/c1-3(2)6-4(5)7-8/h3,8H,1-2H3,(H3,5,6,7)
InChIKey	InChI	1.03	OITVEDMMUMUWTL-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB02143
Name	1-hydroxy-2-isopropylguanidine
Groups	experimental
Synonyms	1-hydroxy-2-isopropylguanidine N-isopropyl-N'-hydroxyguanidine 1-hydroxy-2-propan-2-ylguanidine
CAS number	478806-77-8

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