2-{[(2,6-dichlorophenyl)methylidene]amino}guanidine

• ChemBase ID: 511
• Molecular Formular: C8H8Cl2N4
• Molecular Mass: 231.08192
• Monoisotopic Mass: 230.01260164
• SMILES: Clc1c(c(Cl)ccc1)/C=N/N=C(N)N
• Canonical SMILES: NC(=N/N=C/c1c(Cl)cccc1Cl)N
• InChI: InChI=1S/C8H8Cl2N4/c9-6-2-1-3-7(10)5(6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)
• InChIKey: WDZVGELJXXEGPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[(2,6-dichlorophenyl)methylidene]amino}guanidine
• IUPAC Traditional name: guanabenz
• Brand Name: GBZ; Guanabenz Acetate; Guanabenz [USAN:INN]; Guanabenz(USAN); Guanabenzo [INN-Spanish]; Guanabenzum [INN-Latin]; Wy 8678 base; Wytensin
• Synonyms: Guanabenz

Database IDs

• CAS Number: 5051-62-7
• PubChem SID: 160963974; 46505200
• PubChem CID: 5702063

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.45415482
• LogD (pH = 7.4): 1.613309
• Log P: 1.713099
• Molar Refractivity: 58.1526 cm^3
• Polarizability: 21.55975 Å^3
• Polar Surface Area: 76.76 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: 2.25
• LOG S: -3.41
• Solubility (Water): 8.89e-02 g/l

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.2

DETAILS

DrugBank - DB00629

• Drug Groups: approved
• Description: An alpha-2 selective adrenergic agonist used as an antihypertensive agent. [PubChem]
• Indication: For management of High blood pressure
• Pharmacology: Guanabenz, a centrally acting α-2 adrenergic agonist, is indicated for treatment of hypertension.
• Toxicity: Excessive contraction of the pupils, irritability, low blood pressure, sleepiness, slow heartbeat, sluggishness
• Affected Organisms: Humans and other mammals
• Biotransformation: Hepatic
• Absorption: Approximately 75% absorbed from gastrointestinal tract
• Half Life: 6 hours.
• Protein Binding: 90%
• External Links: Wikipedia; PDRhealth; Drugs.com