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| CAS Number | 496775-61-2 |
| Catalog Number | AG00DA6A(AGN-PC-0S3YO3) |
| Chemical Name | Eltrombopag |
| EC Number | 610-469-9 |
| IUPAC Name | 3-[3-[[2-(3,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-2-hydroxyphenyl]benzoic acid |
| InChI | InChI=1S/C25H22N4O4/c1-14-10-11-19(12-15(14)2)29-24(31)22(16(3)28-29)27-26-21-9-5-8-20(23(21)30)17-6-4-7-18(13-17)25(32)33/h4-13,28,30H,1-3H3,(H,32,33) |
| InChI Key | SVOQIEJWJCQGDQ-UHFFFAOYSA-N |
| MDL Number | MFCD20926253 |
| Molecular Formula | C25H22N4O4 |
| Molecular Weight | 442.4666 |
| SMILES | O=C(C1=CC(C2=CC=CC(N/N=C3C(C)=NN(C4=CC=C(C)C(C)=C4)C/3=O)=C2O)=CC=C1)O |
| UNII | S56D65XJ9G |
| Synonyms | eltrombopag,
Promacta,
Revolade,
SB-497 115,
Eltrombopag,
496775-61-2,
Promacta,
Revolade,
(Z)-3'-(2-(1-(3,4-Dimethylphenyl)-3-methyl-5-oxo-1H-pyrazol-4(5H)-ylidene)hydrazinyl)-2'-hydroxy-[1,1'-biphenyl]-3-carboxylic acid,
UNII-S56D65XJ9G,
SB497115,
Eltrombopag-Isomer,
SB 497115,
SB-497115,
CHEMBL461101,
S56D65XJ9G,
1807882-48-9,
CHEBI:85010,
SB-497115-GR,
Eltrombopag (SB-497115-GR),
3'-[2-[(2Z)-1-(3,4-Dimethylphenyl)-1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene]hydrazinyl]-2'-hydroxy-[1,1'-biphenyl]-3-carboxylic acid,
NCGC00274067-01,
(Z)-3'-(2-(1-(3,4-Dimethylphenyl)-3-methyl-5-oxo-1H-pyrazol-4(5H)-ylidene)hydrazinyl)-2'-hydroxy-[1,,
Eltrombopag [INN],
Eltrombopag/,
HSDB 8212,
(ZE)-Eltrombopag,
PubChem20546,
DSSTox_CID_31542,
DSSTox_RID_97427,
DSSTox_GSID_57753,
SCHEMBL18910,
MLS006010024,
SCHEMBL164270,
SCHEMBL211081,
SCHEMBL211082,
AMG531,
CHEMBL478463,
GTPL6961,
CHEMBL3186485,
CHEMBL4117986,
DTXSID5057753,
CTK8B4402,
KS-00000HOK,
EX-A443,
XDXWLKQMMKQXPV-QYQHSDTDSA-N,
XDXWLKQMMKQXPV-UHFFFAOYSA-N,
BCPP000243,
HMS3655B14,
BCP01884,
Tox21_113965,
ABP000381,
AN-589,
ANW-44916,
BDBM50248106,
MFCD21090400,
s4502,
ZINC11679756,
ZINC30690955,
AKOS015920246,
AKOS026750537,
AKOS030524935,
ZINC100015243,
ZINC100794657,
ZINC252551075,
ZINC299848778,
BCP9000641,
CS-1565,
DB06210,
EX-7216,
SB19101,
VA10799,
(E)-3\'-(2-(1-(3,4-Dimethylphenyl)-3-methyl-5-oxo-1H-pyrazol-4(5H)-ylidene)hydrazinyl)-2\'-hydroxybiphenyl-3-carboxylic acid,
376591-99-0,
4CA-0492,
AJ-59963,
AK-72820,
AS-19180,
AS-35176,
BC678699,
BR-72820,
EN002876,
HY-15306,
SC-27871,
SMR004701208,
AB1008446,
ST2402915,
CAS-496775-61-2,
FT-0660417,
SW219608-1,
X5021,
A12686,
A25156,
EN300-125160,
AB01274808-01,
AB01274808_02,
775E612,
Z2216208634,
(1,1'-Biphenyl)-3-carboxylic acid, 3'-((2Z)-(1-(3,4-dimethylphenyl)-1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene)hydrazino)-2'-hydroxy-,
(E)-3'-(2-(2-(3,4-dimethylphenyl)-5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)hydrazono)-2'-oxo-2',3'-dihydro-[1,1'-biphenyl]-3-carboxylic acid,
(Z)-3'-(2-(1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1H-pyrazol-4(5H)-ylidene)hydrazinyl)-2'-hydroxybiphenyl-3-carboxylic acid,
(Z)-3`-(2-(1-(3,4-Dimethylphenyl)-3-methyl-5-oxo-1H-pyrazol-4(5H)-ylidene)hydrazinyl)-2`-hydroxy-[1,,
3'-[(2Z)- [1-(3,4-dimethylphenyl)-1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene]hydrazino]-2'-hydroxy-[1,1'-biphenyl]-3-carboxylic acid,
3'-[(2Z)-[1-(3,4-dimethylphenyl)-1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene]hydrazino]-2'-hydroxy-[1,1'-biphenyl]-3-carboxylic acid,
3'-[(2Z)-[1-(3,4-dimethylphenyl)-1,5-dihydro-3-methyl-5-oxo4H-pyrazol-4-ylidene]hydrazino]-2'-hydroxy-[1,1'-biphenyl]-3-carboxylic acid,
3'-{(2z)-2-(1-[3,4-dimethylphenyl]-3-methyl-5-oxo-1,5-dihydro-4h-pyrazol-4-ylidene)diazanyl}-2'-hydroxybiphenyl-3-carboxylic acid,
3'-{(2Z)-2-[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazino}-2'-hydroxybiphenyl-3-carboxylic acid,
3'-{(2Z)-2-[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}-2'-hydroxy[1,1'-biphenyl]-3-carboxylic acid,
3'-{2-[(4E)-1-(3,4-dimethylphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene]hydrazin-1-yl}-2'-hydroxy-[1,1'-biphenyl]-3-carboxylic acid,
3'-{N'-[1-(3,4-dimethyl-phenyl)-3-methyl-5-oxo-1,5-dihydropyrazol-4-ylidene]hydrazino}-2'-hydroxybiphenyl-3-carboxylic acid,
3'-{N'-[1-(3,4-Dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-pyrazol-4-ylidene]hydrazino}-2'-hydroxybiphenyl-3-carboxylic acid,
3-(3-{2-[(4Z)-1-(3,4-dimethylphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene]hydrazin-1-yl}-2-hydroxyphenyl)benzoic acid,
3-(5-{2-[2-(3,4-dimethylphenyl)-5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl]hydrazin-1-ylidene}-6-oxocyclohexa-1,3-dien-1-yl)benzoic acid,
3-[(5E)-5-[[2-(3,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]hydrazinylidene]-6-oxocyclohexa-1,3-dien-1-yl]benzoic acid,
3-[(5E)-5-[[2-(3,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]hydrazono]-6-oxo-cyclohexa-1,3-dien-1-yl]benzoic acid,
3-[3-[2-[1-(3,4-Dimethylphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-4-ylidene]hydrazino]-2-hydroxyphenyl]benzoic acid,
ppromacta,
Eltrombopag olamine,
D00PEH,
C25H22N4O4,
ACN-031553,
CID9846180,
3013A,
B2159,
SB-497 115,
C520809,
[1,1'-Biphenyl]-3-carboxylic acid, 3'-[(2Z)-[1-(3,4-dime,
[1,1'-Biphenyl]-3-carboxylic acid, 3'-[2-[(2Z)-1-(3,4-dimethylphenyl)-1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene]hydrazinyl]-2'-hydroxy-,
Thylphenyl)-1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene]hydrazino]-2'-hydroxy-(9CI),
3'-[[1-(3,4-DiMethylphenyl)-1,5-dihydro-3-Methyl-5-oxo-4H-pyrazol-4-ylidene]hydrazino]-2'-hydroxy-[1,1'-biphenyl]-3-carboxylic acid,
443130-00-5,
|
| Complexity | 812 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 442.164g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 442.475g/mol |
| Monoisotopic Mass | 442.164g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 115A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.4 |
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