Eltrombopag Methyl Ester

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CAS Number

1246929-01-0

Synonyms

(Z) -methyl 3'- (2- (1- (3,4-dimethylphenyl) -3-methyl-5-oxo-1H-pyrazol-4 (5H) -ylidene) hydrazinyl) -2'-hydroxy-[1,1'-biphenyl]-3-carboxylate;3'-[ (2Z) -2-[1- (3,4-Dimethylphenyl) -1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene]hydrazinyl]-2'-hydroxy-[1,1'-Biphenyl]-3-carboxylic Acid Methyl Ester; Eltrombopag Methyl Ester

Molecular Formula

C26H24N4O4

Molecular Weight

456.50

API Name

Eltrombopag

Chemical Information

Eltrombopag Methyl Ester

CAS Number	1246929-01-0
PubChem CID	136113727
IUPAC Name	methyl 3-[3-[[2-(3,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-2-hydroxyphenyl]benzoate
Molecular Formula	C26H24N4O4
Molecular Weight	456.5
XLogP	5.7
Topological Polar Surface Area	104
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	34
Formal Charge	0
Complexity	828

SMILES

CC1=C(C=C(C=C1)N2C(=O)C(=C(N2)C)N=NC3=CC=CC(=C3O)C4=CC(=CC=C4)C(=O)OC)C

InChI

InChI=1S/C26H24N4O4/c1-15-11-12-20(13-16(15)2)30-25(32)23(17(3)29-30)28-27-22-10-6-9-21(24(22)31)18-7-5-8-19(14-18)26(33)34-4/h5-14,29,31H,1-4H3

InChIKey

ZFOIOIMYYANYQN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1246929-01-0

CID: 136113727

Formula: C26H24N4O4

MW: 456.5

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	456.5
XLogP3	5.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	456.17975526
Monoisotopic Mass	456.17975526
Topological Polar Surface Area	104 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	828
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	1
Compound Is Canonicalized	Yes

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Catalog	Name
AR-E01201-01	Eltrombopag Ethyl Ester
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AR-E01195-01	Eltrombopag
AR-E09602-01	Eltrombopag Impurity 45 ((E) -Eltrombopag)
AR-E01197-01	Eltrombopag Olamine
AR-E09630-01	Eltrombopag-13C4
AR-E01200-01	Eltrombopag Amide
AR-E11044-01	Eltrombopag Impurity
AR-E01196-01	Eltrombopag-13C4

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Eltrombopag Methyl Ester

Chemical Information

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