bis(1-aminoguanidine); sulfuric acid

• ChemBase ID: 108483
• Molecular Formular: C2H14N8O4S
• Molecular Mass: 246.24876
• Monoisotopic Mass: 246.08587197
• SMILES: NNC(=N)N.NNC(=N)N.OS(=O)(=O)O
• Canonical SMILES: OS(=O)(=O)O.NNC(=N)N.NNC(=N)N
• InChI: InChI=1S/2CH6N4.H2O4S/c2*2-1(3)5-4;1-5(2,3)4/h2*4H2,(H4,2,3,5);(H2,1,2,3,4)
• InChIKey: VKGQPUZNCZPZKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(1-aminoguanidine); sulfuric acid
• IUPAC Traditional name: bis(aminoguanidine); sulfuric acid
• Synonyms: Aminoguanidine hemisulfate salt; Aminoguanidine sulfate; AMINOGUANIDINE HEMISULFATE; 甲脒肼 半硫酸盐; 氨基胍 半硫酸盐; 硫酸氨基胍

Database IDs

• CAS Number: 996-19-0; 1068-42-4
• EC Number: 213-945-0; 213-628-7
• MDL Number: MFCD00035665; MFCD00151369
• PubChem SID: 24278013; 162094314
• PubChem CID: 2734952

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -5.569452
• LogD (pH = 7.4): -5.594027
• Log P: -0.841552
• Molar Refractivity: 13.7708 cm^3
• Polarizability: 6.279968 Å^3
• Polar Surface Area: 74.6 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• Acid pKa: -3.034349

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Pharmacology Properties

• Gene Information: human ... NOS1(4842), NOS2(4843), NOS2B(201288), NOS2C(645740), NOS3(4846)

Product Information

• Purity: ≥98%; 98%

DETAILS

Sigma Aldrich - A7009

Biochem/physiol Actions
Inhibits both constitutive and inducible nitric oxide synthetase
Application
Aminoguanidine inhibits both constitutive and inducible nitric oxide synthetase. Aminoguanidine has also been used to study the effects of nitric oxide on ovulation and ovarian steroidogenesis and prostaglandin production.