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Isamfazone

HCID 68753
NotesReactions
Basic informationOverviewNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
55902-02-8
Standard SMILES
CC(Cc1ccccc1)N(C)C(=O)Cn1nc(-c2ccccc2)ccc1=O
InChIKey
JKNDAGNFBPJGEF-UHFFFAOYSA-N
Molecular formula
C22H23N3O2
Average molar mass
361.4 g/mol
Monoisotopic mass
361.17902698

Overview

RN given refers to cpd with unspecified stereochemistry; structure in Negwer, 5th ed, #4839

Names & identifiers

Preferred name
Isamfazone
IUPAC
N-methyl-2-(6-oxo-3-phenylpyridazin-1-yl)-N-(1-phenylpropan-2-yl)acetamide
English name
isamfazone
Molecular weight
0

Names & synonyms

Isamfazone55902-02-8IsamfazonaIsamfazonumXUW8L8PW09DTXSID10866518RefChem:923585DTXCID70814797PIR-353N-methyl-6-phenyl-N-(2-phenylisopropyl)-2-(3-oxo-2,3-dihydropyridazinyl)acetamideIsamfazone [INN]N-methyl-2-(6-oxo-3-phenylpyridazin-1-yl)-N-(1-phenylpropan-2-yl)acetamide
Show more names
N-Methyl-N-(α-methylphenethyl)-6-oxo-3-phenyl-1(6H)-pyridazineacetamideN-Methyl-N-alpha-methylphenethyl-6-oxo-3-phenyl-1(6H)-pyridazineacetamide1(6H)-Pyridazineacetamide, N-methyl-N-alpha-methylphenethyl-6-oxo-3-phenyl-
BRN 0840421N-methyl-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)-N-(1-phenylpropan-2-yl)acetamideIsamfazonum [INN-Latin]Isamfazona [INN-Spanish](-)-N-Methyl-N-(1-methyl-2-phenylethyl)-6-oxo-3-phenyl-1(6H)-pyridazineacetamideUNII-XUW8L8PW09D-N-Methyl-N-alpha-methylphenethyl-6-oxo-3-phenyl-1(6H)-pyridazineacetamide67465-02-5

Database identifiers

CAS
55902-02-8、67465-01-4、67465-02-5
PubChem CID
68753

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
53 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
27
Formal charge
0
Complexity
586

Physicochemical properties

EWG's Food Scores
1 · 1

Chemistry & industry

Suppliers4 total

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海杰股生物科技有限公司021-51698675 · [email protected]
TargetMol中国(陶术生物)15002134094 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
DTXSID
DTXSID10866518
ChEMBL
CHEMBL2105067
UNII
XUW8L8PW09
Nikkaji
J11.077I、J78.815E、J78.816C