Basic information
- CAS
115344-47-3- Standard SMILES
CN=C(NC#N)Nc1ccc(C2=NNC(=O)CC2C)cc1- InChIKey
NUHPODZZKHQQET-UHFFFAOYSA-N- Molecular formula
- C14H16N6O
- Average molar mass
- 284.32 g/mol
- Monoisotopic mass
- 284.13855916
Overview
1-cyano-2-methyl-3-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]guanidine is a pyridazinone.
Names & identifiers
- Preferred name
- Siguazodan
- IUPAC
- 1-cyano-2-methyl-3-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]guanidine
- English name
- SIGUAZODAN
- Molecular formula
- C14H16N6O
- Molecular weight
- 284.32
Names & synonyms
Siguazodan115344-47-3SKF 94836SKF-94836SK&F 94836DTXSID00452025E4UI00UQJSK&F-94836DTXCID8025202siguazodanumRefChem:1828232-cyano-1-methyl-3-(4-(methyl-6-oxo-1,4,5,6-tetrahydropyridazine-3-yl)phenyl)guanidine
Show more names
SK AND F-94836Siguazodan (SKF 94836)Siguazodan, 10 mM in DMSOSKF-94836,inhibit,Phosphodiesterase (PDE),SKF94836,Siguazodan,InhibitorN-Cyano-Nmethyl-Nⅱ-[4-(1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl]guanidineN-CYANO-N'-METHYL-N''-[4-(1,4,5,6-TETRAHYDRO-4-METHYL-6-OXO-3-PYRIDAZINYL)PHENYL]GUANIDINE4β-Methyl-4,5-dihydro-3-[4-[[(cyanoimino)(methylamino)methyl]amino]phenyl]pyridazin-6(1H)-one
634-221-41-cyano-2-methyl-3-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]guanidine2-Cyano-1-methyl-3-(4-(4-methyl-6-oxo-1,4,5,6-tetrahydropyridazin-3-yl)phenyl)guanidineNCGC00015947-02Guanidine, N-cyano-N'-methyl-N''-[4-(1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl]-CAS-115344-47-3Siguazodan [INN:BAN]SR-01000075284
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 495
Physicochemical properties
- Melting point
- 268 · 268-268.9 °C(lit.)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- 5 mg/mL, · DMSO: >5 mg/mL, freely soluble
- form
- solid
- pka
- 13.71 · 13.71±0.60(Predicted)
- color
- white
- FDA UNII
- 5 E4UI00UQJ · 5E4UI00UQJ
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Compounds which inhibit or antagonize the biosynthesis or actions of phosphodiesterases.
Drugs used to cause dilation of the blood vessels.
Applications
UsesSiguazodan is a selective phosphodiesterase PDE III inhibitor and a potent inotropic agent.
Suppliers32 total
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
沈阳中申泽康生物医学技术研究有限公司024-88590548 18698872706 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
Aladdin Scientific[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
InvivoChem中国13549236410 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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