EUK 134

CAT: 0244-S4261-20mgSize: 20 mgDry Ice: NoHazardous: No

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CAT#:0244-S4261-20mgSize:20 mg

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CAS Number

81065-76-1

Chemical Information

Ethylbisiminomethylguaiacol manganese chloride

See also: Ethylbisiminomethylguaiacol manganese chloride (annotation moved to).

CAS Number	81065-76-1
PubChem CID	9823233
IUPAC Name	manganese(3+);2-methoxy-6-[2-[(3-methoxy-2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;chloride
Molecular Formula	C18H18ClMnN2O4
Molecular Weight	416.7
Topological Polar Surface Area	89.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Heavy Atom Count	26
Formal Charge	0
Complexity	378

SMILES

COC1=CC=CC(=C1[O-])C=NCCN=CC2=C(C(=CC=C2)OC)[O-].[Cl-].[Mn+3]

InChI

InChI=1S/C18H20N2O4.ClH.Mn/c1-23-15-7-3-5-13(17(15)21)11-19-9-10-20-12-14-6-4-8-16(24-2)18(14)22;;/h3-8,11-12,21-22H,9-10H2,1-2H3;1H;/q;;+3/p-3

InChIKey

YUZJJFWCXJDFOQ-UHFFFAOYSA-K

Chemical Structure

2D Structure

CAS: 81065-76-1

CID: 9823233

Formula: C18H18ClMnN2O4

MW: 416.7

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	416.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	416.033553
Monoisotopic Mass	416.033553
Topological Polar Surface Area	89.3 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	378
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

Catalog	Name
S7665-100mg	Zoligratinib (Debio-1347)
S7665-1g	Zoligratinib (Debio-1347)

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