CAS 36725-28-7 Ici 109,081 (HCID 161928)

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Basic information

CAS: 36725-28-7
Standard SMILES: CC1CC(=O)NN=C1c1ccc(N)cc1
InChIKey: NWUOGOISBQCNKQ-UHFFFAOYSA-N
Molecular formula: C11H13N3O
Average molar mass: 203.24 g/mol

Overview

inhibits maturation of follicular oocytes in presence of gonadotropins without affecting ovulation in mice

Names & identifiers

Preferred name: Ici 109,081
IUPAC: 3-(4-aminophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
English name: 6-(4-Aminophenyl)-4,5-dihydro-5-methyl-3(2H)-pyridazinone
Molecular formula: C11H13N3O
Molecular weight: 203.24

Names & synonyms

36725-28-7Ici 109,081RefChem:5393736-(4-aminophenyl)-5-methyl-4,5-dihydropyridazin-3(2h)-one6-(4-Aminophenyl)-4,5-dihydro-5-methyl-3(2H)-pyridazinone3(2H)-Pyridazinone, 6-(4-aminophenyl)-4,5-dihydro-5-methyl-MFCD016927126-(4-Aminophenyl)-5-methyl-4,5-dihydro-2H-pyridazin-3-one3-(4-aminophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-oneLevosimendan dazinones intermediates6-(4-Aminophenyl)-4,5-dihydro-5-methyl-3(2H)pyridazinoneICI-109081

Show more names

(R)-6-(4-aMinophenyl)-5-Methyl-4,5-dihydropyridazin-3(2H)-one6-(4-Amino-phenyLLevosimendan Impurity 5Levosimendan intermediate-4,5-dihydro-2H-pyridazin-3-one6-(4-Aminophenyl)-5-methylpyridazin-3(2H)one6-(4-AMINOPHENYL)-5-METHYLPYRIDAZIN-3(2H)ONE, 98+%6-(4-AMinophenyl)-4,5-dihydro-5-Methyl-3(2H)-pyrid

107295-33-03(4-Aminophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one6-(p-aminophenyl)-4,5-dihydro-5-methyl-3(2H)-pyridazinone6-(4-aminophenyl)-5-methyl-2,3,4,5-tetrahydropyridazin-3-one6-(4-Aminophenyl)-5-methyl-4,5-dihydropyridazin-3-ol4,5-dihydro-6-(4-aminophenyl)-5-methyl-3(2H)-pyridazinone6-(p-aminophenyl)-5-methyl-4,5-dihydro-3(2H)-pyridazinone6-(p-aminopheny

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 67.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 280

Physicochemical properties

Melting point: 194 to · 194.0 to 198.0 °C
Density: 1.3 · 1.30±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: DMSO (Slightly), Methanol (Slightly, Sonicated)
form: Solid
pka: 13.9 · 13.90±0.60(Predicted)
color: Pale Yellow to Brown
InChI: InChI=1S/C11H13N3O/c1-7-6-10(15)13-14-11(7)8-2-4-9(12)5-3-8/h2-5,7H,6,12H2,1H3,(H,13,15)
InChIKey: NWUOGOISBQCNKQ-UHFFFAOYSA-N
SMILES: C1(=O)NN=C(C2=CC=C(N)C=C2)C(C)C1
CAS DataBase Reference: 36725 · 36725-28-7(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Safety data

hs_code: 2933.99.8290
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Chemistry & industry

Applications · 1 item

UsesAMDP3 (4-Aminophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one) acts as a cardiac troponin effecter, resulting in activation of cardiac muscle contractions. It’s an analogue to Levosimendan (L378000), positive inotropic agent with vasodilating activity.