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Aminoguanidine hydrochloride

Aminoguanidine hydrochloride

CAS No. :1937-19-5MDL No. :MFCD00039074Formula :CH7ClN4Boiling Point :-Linear Structure Formula :-InChI Key :UBDZFAGVPPM

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CAS No. :1937-19-5 Brand :Qitai
Formula :CH7ClN4 M.W :110.55

Introduction

CAS No. :1937-19-5 MDL No. :MFCD00039074
Formula : CH7ClN4 Boiling Point : -
Linear Structure Formula :- InChI Key :UBDZFAGVPPMTIT-UHFFFAOYSA-N
M.W : 110.55 Pubchem ID :2734687
Synonyms :
Pimagedine hydrochloride;GER-11;Guanylhydrazine hydrochloride;GER11. aminoguanidine. Pimagedine hydrochloride;MDL201228;YM-585;Pimagedine, MDL-201228;Aminoguanidine (hydrochloride);Monoaminoguanidine;Imino semicarbazide;Hydrazinecarboximidamide;Guanyl hydrazine;Pimagedine;Aminoguanidinium chloride;Aminoguanidine hydrochloride
Chemical Name :Aminoguanidine hydrochloride

Physicochemical Properties

Num. heavy atoms : 6
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 4.0
Molar Refractivity : 25.69
TPSA : 87.92 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.61 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : -0.89
Log Po/w (WLOGP) : -0.85
Log Po/w (MLOGP) : -1.0
Log Po/w (SILICOS-IT) : -1.01
Consensus Log Po/w : -0.75

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : 0.1
Solubility : 140.0 mg/ml ; 1.26 mol/l
Class : Highly soluble
Log S (Ali) : -0.47
Solubility : 37.1 mg/ml ; 0.336 mol/l
Class : Very soluble
Log S (SILICOS-IT) : 0.83
Solubility : 742.0 mg/ml ; 6.71 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 3.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.68
Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram: