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Benzene and substituted derivatives

Benzene is an aromatic organic molecule composed of six carbon atoms and six hydrogen atoms that form a ring. Includes substituted derivative compounds.
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1 – 15 of 2,090 results
1

Trametinib (DMSO solvate), MedChemExpress

MedChemExpress Trametinib (DMSO solvate) (GSK-1120212 (DMSO solvate);JTP-74057 (DMSO solvate)) is an orally active MEK inhibitor that inhibits MEK1 and MEK2 with IC50s of about 2 nM. Trametinib (DMSO solvate) activates autophagy and induces apoptosis.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 693.53
Color Off-White
Physical Form Solid
Chemical Name or Material Trametinib (DMSO solvate)
Grade Research
SMILES CN1C(C(C)=C(N(C(N(C2=O)C3CC3)=O)C4=CC=CC(NC(C)=O)=C4)C2=C1NC5=CC=C(C=C5F)I)=O.CS(C)=O
For Use With (Application) Cancer-Kinase/protease
Percent Purity 98.51%
CAS 1187431-43-1
Solubility Information DMSO : 69 mg/mL (99.49 mM; Need ultrasonic)
Synonym GSK-1120212 (DMSO solvate) JTP-74057 (DMSO solvate)
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula C28H29FIN5O5S
Formula Weight 693.53
2

m-Tolyl acetate, 97%

EDGE
3

Iodobenzene, 98%

CAS: 591-50-4 Molecular Formula: C6H5I Molecular Weight (g/mol): 204.01 MDL Number: MFCD00001029 InChI Key: SNHMUERNLJLMHN-UHFFFAOYSA-N Synonym: benzene, iodo,phenyl iodide,benzene iodide,iodophenyl,iodinebenzol,iodo-benzene,phenyliodide,iodo benzene,unii-9hk5l7ybbr,1-iodobenzene PubChem CID: 11575 IUPAC Name: iodobenzene SMILES: IC1=CC=CC=C1

EDGE
PubChem CID 11575
CAS 591-50-4
Molecular Weight (g/mol) 204.01
MDL Number MFCD00001029
SMILES IC1=CC=CC=C1
Synonym benzene, iodo,phenyl iodide,benzene iodide,iodophenyl,iodinebenzol,iodo-benzene,phenyliodide,iodo benzene,unii-9hk5l7ybbr,1-iodobenzene
IUPAC Name iodobenzene
InChI Key SNHMUERNLJLMHN-UHFFFAOYSA-N
Molecular Formula C6H5I
4

Tamoxifen, 98%

CAS: 10540-29-1 Molecular Formula: C26H29NO Molecular Weight (g/mol): 371.52 MDL Number: MFCD00010454 InChI Key: NKANXQFJJICGDU-QPLCGJKRSA-N Synonym: tamoxifen,trans-tamoxifen,crisafeno,soltamox,tamoxifene,diemon,tamoxifeno,tamoxifenum,citofen,istubol PubChem CID: 2733526 ChEBI: CHEBI:41774 IUPAC Name: (2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)dimethylamine SMILES: CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1

EDGE
PubChem CID 2733526
CAS 10540-29-1
Molecular Weight (g/mol) 371.52
ChEBI CHEBI:41774
MDL Number MFCD00010454
SMILES CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1
Synonym tamoxifen,trans-tamoxifen,crisafeno,soltamox,tamoxifene,diemon,tamoxifeno,tamoxifenum,citofen,istubol
IUPAC Name (2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)dimethylamine
InChI Key NKANXQFJJICGDU-QPLCGJKRSA-N
Molecular Formula C26H29NO
5

Dithizone, ACS, 85+%

CAS: 60-10-6 Molecular Formula: C13H12N4S Molecular Weight (g/mol): 256.33 MDL Number: MFCD00003025 InChI Key: UOFGSWVZMUXXIY-UHFFFAOYSA-N Synonym: dithizone,dithizon,ditizon,carbazone, diphenylthio,usaf ek-3092,diazenecarbothioic acid, phenyl-, 2-phenylhydrazide,1,5-diphenyl-3-mercaptoformazan,3-formazanthiol, 1,5-diphenyl,unii-njz2cj4d6p,1,5-diphenyl-3-thiocarbazone PubChem CID: 657262 IUPAC Name: 1-anilino-3-phenyliminothiourea SMILES: S=C(NNC1=CC=CC=C1)N=NC1=CC=CC=C1

EDGE
PubChem CID 657262
CAS 60-10-6
Molecular Weight (g/mol) 256.33
MDL Number MFCD00003025
SMILES S=C(NNC1=CC=CC=C1)N=NC1=CC=CC=C1
Synonym dithizone,dithizon,ditizon,carbazone, diphenylthio,usaf ek-3092,diazenecarbothioic acid, phenyl-, 2-phenylhydrazide,1,5-diphenyl-3-mercaptoformazan,3-formazanthiol, 1,5-diphenyl,unii-njz2cj4d6p,1,5-diphenyl-3-thiocarbazone
IUPAC Name 1-anilino-3-phenyliminothiourea
InChI Key UOFGSWVZMUXXIY-UHFFFAOYSA-N
Molecular Formula C13H12N4S
6

2-Iodobenzoic acid, 98+%

CAS: 88-67-5 Molecular Formula: C7H5IO2 Molecular Weight (g/mol): 248.019 MDL Number: MFCD00002419 InChI Key: CJNZAXGUTKBIHP-UHFFFAOYSA-N Synonym: o-iodobenzoic acid,benzoic acid, 2-iodo,iodobenzoic acid,benzoic acid, o-iodo,usaf ek-572,2-iodo benzoic acid,2-iodo-benzoic acid,benzoic acid, iodo,kyselina o-jodbenzoova,o-jod-benzoesaeure PubChem CID: 6941 ChEBI: CHEBI:287979 IUPAC Name: 2-iodobenzoic acid SMILES: C1=CC=C(C(=C1)C(=O)O)I

EDGE
PubChem CID 6941
CAS 88-67-5
Molecular Weight (g/mol) 248.019
ChEBI CHEBI:287979
MDL Number MFCD00002419
SMILES C1=CC=C(C(=C1)C(=O)O)I
Synonym o-iodobenzoic acid,benzoic acid, 2-iodo,iodobenzoic acid,benzoic acid, o-iodo,usaf ek-572,2-iodo benzoic acid,2-iodo-benzoic acid,benzoic acid, iodo,kyselina o-jodbenzoova,o-jod-benzoesaeure
IUPAC Name 2-iodobenzoic acid
InChI Key CJNZAXGUTKBIHP-UHFFFAOYSA-N
Molecular Formula C7H5IO2
7

3-Methoxyphenylacetone, 97%

CAS: 3027-13-2 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00008771 InChI Key: RMMRRRLPDBJBQL-UHFFFAOYSA-N Synonym: 3-methoxyphenylacetone,1-3-methoxyphenyl propan-2-one,1-3-methoxyphenyl acetone,3-methoxyphenyl acetone,m-methoxyphenyl acetone,m-methoxyphenylacetone,2-propanone, 1-3-methoxyphenyl,3-methoxyphenyl methyl ketone,acmc-1ai0k PubChem CID: 76410 IUPAC Name: 1-(3-methoxyphenyl)propan-2-one SMILES: COC1=CC=CC(CC(C)=O)=C1

PubChem CID 76410
CAS 3027-13-2
Molecular Weight (g/mol) 164.20
MDL Number MFCD00008771
SMILES COC1=CC=CC(CC(C)=O)=C1
Synonym 3-methoxyphenylacetone,1-3-methoxyphenyl propan-2-one,1-3-methoxyphenyl acetone,3-methoxyphenyl acetone,m-methoxyphenyl acetone,m-methoxyphenylacetone,2-propanone, 1-3-methoxyphenyl,3-methoxyphenyl methyl ketone,acmc-1ai0k
IUPAC Name 1-(3-methoxyphenyl)propan-2-one
InChI Key RMMRRRLPDBJBQL-UHFFFAOYSA-N
Molecular Formula C10H12O2
8

2,2-Bis[4-(4-aminophenoxy)phenyl]propane, 98%

CAS: 13080-86-9 Molecular Formula: C27H26N2O2 Molecular Weight (g/mol): 410.517 MDL Number: MFCD00039152 InChI Key: KMKWGXGSGPYISJ-UHFFFAOYSA-N Synonym: 2,2-bis 4-4-aminophenoxy phenyl propane,4,4'-propane-2,2-diylbis 4,1-phenylene bis oxy dianiline,2,2'-bis 4-aminophenoxyphenyl propane,benzenamine, 4,4'-1-methylethylidene bis 4,1-phenyleneoxy bis,4,4'-isopropylidenebis 4,1-phenyleneoxy dianiline,4,4'-4,4'-isopropylidenediphenyl-1,1'-diyldioxy dianiline,bis 4-4-aminophenoxy phenyl dimethyl methane,4,4'-1-methylethylidene bis 4,1-phenyleneoxy bisbenzenamine PubChem CID: 83119 IUPAC Name: 4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]aniline SMILES: CC(C)(C1=CC=C(C=C1)OC2=CC=C(C=C2)N)C3=CC=C(C=C3)OC4=CC=C(C=C4)N

PubChem CID 83119
CAS 13080-86-9
Molecular Weight (g/mol) 410.517
MDL Number MFCD00039152
SMILES CC(C)(C1=CC=C(C=C1)OC2=CC=C(C=C2)N)C3=CC=C(C=C3)OC4=CC=C(C=C4)N
Synonym 2,2-bis 4-4-aminophenoxy phenyl propane,4,4'-propane-2,2-diylbis 4,1-phenylene bis oxy dianiline,2,2'-bis 4-aminophenoxyphenyl propane,benzenamine, 4,4'-1-methylethylidene bis 4,1-phenyleneoxy bis,4,4'-isopropylidenebis 4,1-phenyleneoxy dianiline,4,4'-4,4'-isopropylidenediphenyl-1,1'-diyldioxy dianiline,bis 4-4-aminophenoxy phenyl dimethyl methane,4,4'-1-methylethylidene bis 4,1-phenyleneoxy bisbenzenamine
IUPAC Name 4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]aniline
InChI Key KMKWGXGSGPYISJ-UHFFFAOYSA-N
Molecular Formula C27H26N2O2
9

DAPT

EDGE
10

5-Aminosalicylic acid, 95%

CAS: 89-57-6 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.137 MDL Number: MFCD00007877 InChI Key: KBOPZPXVLCULAV-UHFFFAOYSA-N Synonym: 5-aminosalicylic acid,mesalazine,mesalamine,pentasa,claversal,asacol,canasa,salofalk,rowasa,5-asa PubChem CID: 4075 ChEBI: CHEBI:6775 IUPAC Name: 5-amino-2-hydroxybenzoic acid SMILES: C1=CC(=C(C=C1N)C(=O)O)O

PubChem CID 4075
CAS 89-57-6
Molecular Weight (g/mol) 153.137
ChEBI CHEBI:6775
MDL Number MFCD00007877
SMILES C1=CC(=C(C=C1N)C(=O)O)O
Synonym 5-aminosalicylic acid,mesalazine,mesalamine,pentasa,claversal,asacol,canasa,salofalk,rowasa,5-asa
IUPAC Name 5-amino-2-hydroxybenzoic acid
InChI Key KBOPZPXVLCULAV-UHFFFAOYSA-N
Molecular Formula C7H7NO3
11

O-Acetylsalicylic acid, 99%

CAS: 50-78-2 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.16 MDL Number: MFCD00002430 InChI Key: BSYNRYMUTXBXSQ-UHFFFAOYSA-N Synonym: aspirin,acetylsalicylic acid,2-acetoxybenzoic acid,2-acetyloxy benzoic acid,acetylsalicylate,o-acetylsalicylic acid,o-acetoxybenzoic acid,acylpyrin,polopiryna,easprin PubChem CID: 2244 ChEBI: CHEBI:15365 IUPAC Name: 2-acetyloxybenzoic acid SMILES: CC(=O)OC1=CC=CC=C1C(O)=O

EDGE
PubChem CID 2244
CAS 50-78-2
Molecular Weight (g/mol) 180.16
ChEBI CHEBI:15365
MDL Number MFCD00002430
SMILES CC(=O)OC1=CC=CC=C1C(O)=O
Synonym aspirin,acetylsalicylic acid,2-acetoxybenzoic acid,2-acetyloxy benzoic acid,acetylsalicylate,o-acetylsalicylic acid,o-acetoxybenzoic acid,acylpyrin,polopiryna,easprin
IUPAC Name 2-acetyloxybenzoic acid
InChI Key BSYNRYMUTXBXSQ-UHFFFAOYSA-N
Molecular Formula C9H8O4
12

2,3-Dihydroxybenzoic acid, 98%

CAS: 303-38-8 Molecular Formula: C7H6O4 Molecular Weight (g/mol): 154.121 MDL Number: MFCD00002446 InChI Key: GLDQAMYCGOIJDV-UHFFFAOYSA-N Synonym: pyrocatechuic acid,o-pyrocatechuic acid,2-pyrocatechuic acid,3-hydroxysalicylic acid,dobk,dhba,2,3-dihydroxybenzoicacid,benzoic acid, 2,3-dihydroxy,catecholcarboxylic acid,2,3-dihydroxy-benzoic acid PubChem CID: 19 ChEBI: CHEBI:18026 IUPAC Name: 2,3-dihydroxybenzoic acid SMILES: C1=CC(=C(C(=C1)O)O)C(=O)O

PubChem CID 19
CAS 303-38-8
Molecular Weight (g/mol) 154.121
ChEBI CHEBI:18026
MDL Number MFCD00002446
SMILES C1=CC(=C(C(=C1)O)O)C(=O)O
Synonym pyrocatechuic acid,o-pyrocatechuic acid,2-pyrocatechuic acid,3-hydroxysalicylic acid,dobk,dhba,2,3-dihydroxybenzoicacid,benzoic acid, 2,3-dihydroxy,catecholcarboxylic acid,2,3-dihydroxy-benzoic acid
IUPAC Name 2,3-dihydroxybenzoic acid
InChI Key GLDQAMYCGOIJDV-UHFFFAOYSA-N
Molecular Formula C7H6O4
13

Probenecid, 98%

CAS: 57-66-9 Molecular Formula: C13H19NO4S Molecular Weight (g/mol): 285.36 MDL Number: MFCD00038402 InChI Key: DBABZHXKTCFAPX-UHFFFAOYSA-N Synonym: probenecid,4-dipropylsulfamoyl benzoic acid,probenecid acid,probecid,benecid,benemid,benuryl,probalan,probenemid,probexin PubChem CID: 4911 ChEBI: CHEBI:8426 IUPAC Name: 4-(dipropylsulfamoyl)benzoic acid SMILES: CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(O)=O

EDGE
PubChem CID 4911
CAS 57-66-9
Molecular Weight (g/mol) 285.36
ChEBI CHEBI:8426
MDL Number MFCD00038402
SMILES CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(O)=O
Synonym probenecid,4-dipropylsulfamoyl benzoic acid,probenecid acid,probecid,benecid,benemid,benuryl,probalan,probenemid,probexin
IUPAC Name 4-(dipropylsulfamoyl)benzoic acid
InChI Key DBABZHXKTCFAPX-UHFFFAOYSA-N
Molecular Formula C13H19NO4S
14

(2-Carboxyethyl)triphenylphosphonium chloride, 98%

CAS: 36626-29-6 Molecular Formula: C21H20ClO2P Molecular Weight (g/mol): 370.81 MDL Number: MFCD00185663 InChI Key: GALLWJZTZYJVSL-UHFFFAOYSA-N Synonym: 2-carboxyethyl triphenylphosphonium chloride,2-carboxyethyl tripheylphosphonium chloride,2-carboxyethyl-triphenylphosphonium chloride,phosphonium, 2-carboxyethyl triphenyl-, chloride,2-carboxyethyl triphenylphosphanium chloride,acmc-1agne,2-carboxyethyl triphenyl phosphonium chloride,beta-carboxyethyltriphenylphosphonium chloride,2-carboxyethyl triphenyl-phosphonium chloride PubChem CID: 10270534 SMILES: [Cl-].OC(=O)CC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 10270534
CAS 36626-29-6
Molecular Weight (g/mol) 370.81
MDL Number MFCD00185663
SMILES [Cl-].OC(=O)CC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym 2-carboxyethyl triphenylphosphonium chloride,2-carboxyethyl tripheylphosphonium chloride,2-carboxyethyl-triphenylphosphonium chloride,phosphonium, 2-carboxyethyl triphenyl-, chloride,2-carboxyethyl triphenylphosphanium chloride,acmc-1agne,2-carboxyethyl triphenyl phosphonium chloride,beta-carboxyethyltriphenylphosphonium chloride,2-carboxyethyl triphenyl-phosphonium chloride
InChI Key GALLWJZTZYJVSL-UHFFFAOYSA-N
Molecular Formula C21H20ClO2P
15

Bisphenol A diglycidyl ether resin

CAS: 1675-54-3 Molecular Formula: C21H24O4 Molecular Weight (g/mol): 340.419 MDL Number: MFCD00080480 InChI Key: LCFVJGUPQDGYKZ-UHFFFAOYSA-N Synonym: bisphenol a diglycidyl ether,2,2-bis 4-glycidyloxyphenyl propane,epoxide a,epophen el 5,badge,dian diglycidyl ether,diglycidyl bisphenol a,epi-rez 510,bpdge,dgeba PubChem CID: 2286 ChEBI: CHEBI:34578 IUPAC Name: 2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane SMILES: CC(C)(C1=CC=C(C=C1)OCC2CO2)C3=CC=C(C=C3)OCC4CO4

PubChem CID 2286
CAS 1675-54-3
Molecular Weight (g/mol) 340.419
ChEBI CHEBI:34578
MDL Number MFCD00080480
SMILES CC(C)(C1=CC=C(C=C1)OCC2CO2)C3=CC=C(C=C3)OCC4CO4
Synonym bisphenol a diglycidyl ether,2,2-bis 4-glycidyloxyphenyl propane,epoxide a,epophen el 5,badge,dian diglycidyl ether,diglycidyl bisphenol a,epi-rez 510,bpdge,dgeba
IUPAC Name 2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
InChI Key LCFVJGUPQDGYKZ-UHFFFAOYSA-N
Molecular Formula C21H24O4