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Complex Ketones

Organic compounds that contain one or more ketone functional groups; a ketone functional group consists of a carbonyl with a carbon atom, or other functional group adjacent to each side.
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1

L-(-)-Sorbose, ≥98%, For HPLC analysis, MP Biomedicals™

CAS: 87-79-6 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.156 InChI Key: BJHIKXHVCXFQLS-OTWZMJIISA-N Synonym: l---sorbose,3s,4r,5s-1,3,4,5,6-pentahydroxyhexan-2-one,sorbinose,keto-l-sorbose,esorben,sorbin,l--sorbose,hsdb 780,l-sorbinose,l-xylo-2-hexulose PubChem CID: 6904 ChEBI: CHEBI:13172 IUPAC Name: (3S,4R,5S)-1,3,4,5,6-pentahydroxyhexan-2-one SMILES: C(C(C(C(C(=O)CO)O)O)O)O

PubChem CID 6904
CAS 87-79-6
Molecular Weight (g/mol) 180.156
ChEBI CHEBI:13172
SMILES C(C(C(C(C(=O)CO)O)O)O)O
Synonym l---sorbose,3s,4r,5s-1,3,4,5,6-pentahydroxyhexan-2-one,sorbinose,keto-l-sorbose,esorben,sorbin,l--sorbose,hsdb 780,l-sorbinose,l-xylo-2-hexulose
IUPAC Name (3S,4R,5S)-1,3,4,5,6-pentahydroxyhexan-2-one
InChI Key BJHIKXHVCXFQLS-OTWZMJIISA-N
Molecular Formula C6H12O6
2

Quinizarin 97.0+%, TCI America™

CAS: 81-64-1 Molecular Formula: C14H8O4 Molecular Weight (g/mol): 240.214 MDL Number: MFCD00001209 InChI Key: GUEIZVNYDFNHJU-UHFFFAOYSA-N Synonym: quinizarin,1,4-dihydroxyanthraquinone,quinizarine,chinizarin,solvent orange 86,1,4-dihydroxyanthrachinon,smoke orange r,1,4-dihydroxy-9,10-anthraquinone,macrolex orange gg,9,10-anthracenedione, 1,4-dihydroxy PubChem CID: 6688 ChEBI: CHEBI:37487 IUPAC Name: 1,4-dihydroxyanthracene-9,10-dione SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)O

PubChem CID 6688
CAS 81-64-1
Molecular Weight (g/mol) 240.214
ChEBI CHEBI:37487
MDL Number MFCD00001209
SMILES C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)O
Synonym quinizarin,1,4-dihydroxyanthraquinone,quinizarine,chinizarin,solvent orange 86,1,4-dihydroxyanthrachinon,smoke orange r,1,4-dihydroxy-9,10-anthraquinone,macrolex orange gg,9,10-anthracenedione, 1,4-dihydroxy
IUPAC Name 1,4-dihydroxyanthracene-9,10-dione
InChI Key GUEIZVNYDFNHJU-UHFFFAOYSA-N
Molecular Formula C14H8O4
3

Phenacyl Bromide 98.0+%, TCI America™

CAS: 70-11-1 Molecular Formula: C8H7BrO Molecular Weight (g/mol): 199.047 MDL Number: MFCD00000195 InChI Key: LIGACIXOYTUXAW-UHFFFAOYSA-N Synonym: 2-bromoacetophenone,phenacyl bromide,2-bromo-1-phenylethan-1-one,bromoacetophenone,ethanone, 2-bromo-1-phenyl,bromomethyl phenyl ketone,alpha-bromoacetophenone,stauffer 4644,omega-bromoacetophenone,acetophenone, 2-bromo PubChem CID: 6259 ChEBI: CHEBI:51846 IUPAC Name: 2-bromo-1-phenylethanone SMILES: C1=CC=C(C=C1)C(=O)CBr

PubChem CID 6259
CAS 70-11-1
Molecular Weight (g/mol) 199.047
ChEBI CHEBI:51846
MDL Number MFCD00000195
SMILES C1=CC=C(C=C1)C(=O)CBr
Synonym 2-bromoacetophenone,phenacyl bromide,2-bromo-1-phenylethan-1-one,bromoacetophenone,ethanone, 2-bromo-1-phenyl,bromomethyl phenyl ketone,alpha-bromoacetophenone,stauffer 4644,omega-bromoacetophenone,acetophenone, 2-bromo
IUPAC Name 2-bromo-1-phenylethanone
InChI Key LIGACIXOYTUXAW-UHFFFAOYSA-N
Molecular Formula C8H7BrO
4

4-Bromophenacyl Bromide 99.0+%, TCI America™

CAS: 99-73-0 Molecular Formula: C8H6Br2O Molecular Weight (g/mol): 277.943 MDL Number: MFCD00000200 InChI Key: FKJSFKCZZIXQIP-UHFFFAOYSA-N Synonym: 2,4'-dibromoacetophenone,2-bromo-1-4-bromophenyl ethanone,4-bromophenacyl bromide,p-bromophenacyl bromide,ethanone, 2-bromo-1-4-bromophenyl,4'-bromophenacyl bromide,p-bromophenacyl-8,alpha,p-dibromoacetophenone,alpha,4-dibromoacetophenone,4-bromo bromoacetyl benzene PubChem CID: 7454 IUPAC Name: 2-bromo-1-(4-bromophenyl)ethanone SMILES: C1=CC(=CC=C1C(=O)CBr)Br

PubChem CID 7454
CAS 99-73-0
Molecular Weight (g/mol) 277.943
MDL Number MFCD00000200
SMILES C1=CC(=CC=C1C(=O)CBr)Br
Synonym 2,4'-dibromoacetophenone,2-bromo-1-4-bromophenyl ethanone,4-bromophenacyl bromide,p-bromophenacyl bromide,ethanone, 2-bromo-1-4-bromophenyl,4'-bromophenacyl bromide,p-bromophenacyl-8,alpha,p-dibromoacetophenone,alpha,4-dibromoacetophenone,4-bromo bromoacetyl benzene
IUPAC Name 2-bromo-1-(4-bromophenyl)ethanone
InChI Key FKJSFKCZZIXQIP-UHFFFAOYSA-N
Molecular Formula C8H6Br2O
5

Sodium Anthraquinone-2-sulfonate Monohydrate 98.0+%, TCI America™

CAS: 153277-35-1 Molecular Formula: C14H7NaO5S Molecular Weight (g/mol): 310.25 MDL Number: MFCD00001229 InChI Key: GGCZERPQGJTIQP-UHFFFAOYSA-M Synonym: sodium 9,10-dioxo-9,10-dihydroanthracene-2-sulfonate hydrate,anthraquinone-2-sulfonic acid sodium salt monohydrate,sodium anthraquinone-2-sulfonate monohydrate,sodium 9,10-dioxoanthracene-2-sulfonate hydrate,9,10-anthraquinone-2-sulfonic acid sodium salt hydrate,anthraquinone-2-sulfonic acid, sodium salt, monohydrate,9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid sodium salt,acmc-209bkc,c14h8o5s.na.h2o,anthraquinone-2-sulfonic acid sodium salt hydrate PubChem CID: 23666331 IUPAC Name: sodium 9,10-dioxo-9,10-dihydroanthracene-2-sulfonate SMILES: [Na+].[O-]S(=O)(=O)C1=CC=C2C(=O)C3=CC=CC=C3C(=O)C2=C1

PubChem CID 23666331
CAS 153277-35-1
Molecular Weight (g/mol) 310.25
MDL Number MFCD00001229
SMILES [Na+].[O-]S(=O)(=O)C1=CC=C2C(=O)C3=CC=CC=C3C(=O)C2=C1
Synonym sodium 9,10-dioxo-9,10-dihydroanthracene-2-sulfonate hydrate,anthraquinone-2-sulfonic acid sodium salt monohydrate,sodium anthraquinone-2-sulfonate monohydrate,sodium 9,10-dioxoanthracene-2-sulfonate hydrate,9,10-anthraquinone-2-sulfonic acid sodium salt hydrate,anthraquinone-2-sulfonic acid, sodium salt, monohydrate,9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid sodium salt,acmc-209bkc,c14h8o5s.na.h2o,anthraquinone-2-sulfonic acid sodium salt hydrate
IUPAC Name sodium 9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
InChI Key GGCZERPQGJTIQP-UHFFFAOYSA-M
Molecular Formula C14H7NaO5S
6

2-Hydroxy-4'-(2-hydroxyethoxy)-2-methylpropiophenone 98.0+%, TCI America™

CAS: 106797-53-9 Molecular Formula: C12H16O4 Molecular Weight (g/mol): 224.26 MDL Number: MFCD00085267 InChI Key: GJKGAPPUXSSCFI-UHFFFAOYSA-N Synonym: 2-Hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methyl-1-propanone PubChem CID: 86266 IUPAC Name: 2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one SMILES: CC(C)(O)C(=O)C1=CC=C(OCCO)C=C1

PubChem CID 86266
CAS 106797-53-9
Molecular Weight (g/mol) 224.26
MDL Number MFCD00085267
SMILES CC(C)(O)C(=O)C1=CC=C(OCCO)C=C1
Synonym 2-Hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methyl-1-propanone
IUPAC Name 2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one
InChI Key GJKGAPPUXSSCFI-UHFFFAOYSA-N
Molecular Formula C12H16O4
7

(-)-Trichostatin A 98.0+%, TCI America™

CAS: 122292-85-7 Molecular Formula: C17H22N2O3 Molecular Weight (g/mol): 302.374 InChI Key: RTKIYFITIVXBLE-LEJRBOCMSA-N Synonym: [S-(E,E)]-(-)-7-[4-(Dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxo-2,4-heptadienamide PubChem CID: 13507024 IUPAC Name: (2E,4E,6S)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide SMILES: CC(C=C(C)C=CC(=O)NO)C(=O)C1=CC=C(C=C1)N(C)C

PubChem CID 13507024
CAS 122292-85-7
Molecular Weight (g/mol) 302.374
SMILES CC(C=C(C)C=CC(=O)NO)C(=O)C1=CC=C(C=C1)N(C)C
Synonym [S-(E,E)]-(-)-7-[4-(Dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxo-2,4-heptadienamide
IUPAC Name (2E,4E,6S)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide
InChI Key RTKIYFITIVXBLE-LEJRBOCMSA-N
Molecular Formula C17H22N2O3
8

1,4-Dihydroxyanthraquinone, 95%

CAS: 81-64-1 Molecular Formula: C14H8O4 Molecular Weight (g/mol): 240.214 MDL Number: MFCD00001209 InChI Key: GUEIZVNYDFNHJU-UHFFFAOYSA-N Synonym: quinizarin,1,4-dihydroxyanthraquinone,quinizarine,chinizarin,solvent orange 86,1,4-dihydroxyanthrachinon,smoke orange r,1,4-dihydroxy-9,10-anthraquinone,macrolex orange gg,9,10-anthracenedione, 1,4-dihydroxy PubChem CID: 6688 ChEBI: CHEBI:37487 IUPAC Name: 1,4-dihydroxyanthracene-9,10-dione SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)O

PubChem CID 6688
CAS 81-64-1
Molecular Weight (g/mol) 240.214
ChEBI CHEBI:37487
MDL Number MFCD00001209
SMILES C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)O
Synonym quinizarin,1,4-dihydroxyanthraquinone,quinizarine,chinizarin,solvent orange 86,1,4-dihydroxyanthrachinon,smoke orange r,1,4-dihydroxy-9,10-anthraquinone,macrolex orange gg,9,10-anthracenedione, 1,4-dihydroxy
IUPAC Name 1,4-dihydroxyanthracene-9,10-dione
InChI Key GUEIZVNYDFNHJU-UHFFFAOYSA-N
Molecular Formula C14H8O4
9

Amiodarone Hydrochloride 98.0+%, TCI America™

CAS: 19774-82-4 Molecular Formula: C25H30ClI2NO3 Molecular Weight (g/mol): 681.778 MDL Number: MFCD00069204 InChI Key: ITPDYQOUSLNIHG-UHFFFAOYSA-N Synonym: amiodarone hydrochloride,amiodarone hcl,amiodar,nexterone,pacerone,amiodaronum hydrochloride,ritmocardyl,rythmarone,angoron PubChem CID: 441325 IUPAC Name: (2-butyl-1-benzofuran-3-yl)-[4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl]methanone;hydrochloride SMILES: CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I.Cl

PubChem CID 441325
CAS 19774-82-4
Molecular Weight (g/mol) 681.778
MDL Number MFCD00069204
SMILES CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I.Cl
Synonym amiodarone hydrochloride,amiodarone hcl,amiodar,nexterone,pacerone,amiodaronum hydrochloride,ritmocardyl,rythmarone,angoron
IUPAC Name (2-butyl-1-benzofuran-3-yl)-[4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl]methanone;hydrochloride
InChI Key ITPDYQOUSLNIHG-UHFFFAOYSA-N
Molecular Formula C25H30ClI2NO3
10

4,5-Diazafluoren-9-one 98.0+%, TCI America™

CAS: 50890-67-0 Molecular Formula: C11H6N2O Molecular Weight (g/mol): 182.182 MDL Number: MFCD00046892 InChI Key: PFMTUGNLBQSHQC-UHFFFAOYSA-N Synonym: 4,5-diazafluoren-9-one,5h-cyclopenta 1,2-b:5,4-b' dipyridin-5-one,5h-cyclopenta 2,1-b:3,4-b' dipyridin-5-one,5h-pyrido 3',2':4,5 cyclopenta 1,2-b pyridin-5-one,pyridino 3',2'-1,2 cyclopenta 3,4-b pyridin-5-one,dafone,dafo,4,5-diazafluorenone-0,4,5-diaza-9h-fluoren-9-one PubChem CID: 342157 SMILES: C1=CC2=C(C3=C(C2=O)C=CC=N3)N=C1

PubChem CID 342157
CAS 50890-67-0
Molecular Weight (g/mol) 182.182
MDL Number MFCD00046892
SMILES C1=CC2=C(C3=C(C2=O)C=CC=N3)N=C1
Synonym 4,5-diazafluoren-9-one,5h-cyclopenta 1,2-b:5,4-b' dipyridin-5-one,5h-cyclopenta 2,1-b:3,4-b' dipyridin-5-one,5h-pyrido 3',2':4,5 cyclopenta 1,2-b pyridin-5-one,pyridino 3',2'-1,2 cyclopenta 3,4-b pyridin-5-one,dafone,dafo,4,5-diazafluorenone-0,4,5-diaza-9h-fluoren-9-one
InChI Key PFMTUGNLBQSHQC-UHFFFAOYSA-N
Molecular Formula C11H6N2O
11

Aloe Emodin 97.0+%, TCI America™

CAS: 481-72-1 Molecular Formula: C15H10O5 Molecular Weight (g/mol): 270.24 MDL Number: MFCD00017373 InChI Key: YDQWDHRMZQUTBA-UHFFFAOYSA-N Synonym: 1,8-Dihydroxy-3-(hydroxymethyl)anthraquinone PubChem CID: 10207 ChEBI: CHEBI:2607 IUPAC Name: 1,8-dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione SMILES: C1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C=C3C2=O)CO)O

PubChem CID 10207
CAS 481-72-1
Molecular Weight (g/mol) 270.24
ChEBI CHEBI:2607
MDL Number MFCD00017373
SMILES C1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C=C3C2=O)CO)O
Synonym 1,8-Dihydroxy-3-(hydroxymethyl)anthraquinone
IUPAC Name 1,8-dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione
InChI Key YDQWDHRMZQUTBA-UHFFFAOYSA-N
Molecular Formula C15H10O5
12

Dyclonine Hydrochloride 98.0+%, TCI America™

CAS: 536-43-6 Molecular Formula: C18H28ClNO2 Molecular Weight (g/mol): 325.88 MDL Number: MFCD00035386 InChI Key: KNZADIMHVBBPOA-UHFFFAOYSA-N Synonym: dyclonine hydrochloride,dyclonine hcl,dyclone,dyclothane,tanaclone,4'-butoxy-3-piperidinopropiophenone hydrochloride,dyclocaine hydrochloride,unii-zec193879q,1-propanone, 1-4-butoxyphenyl-3-1-piperidinyl-, hydrochloride PubChem CID: 68304 ChEBI: CHEBI:4725 IUPAC Name: hydrogen 1-(4-butoxyphenyl)-3-(piperidin-1-yl)propan-1-one chloride SMILES: [H+].[Cl-].CCCCOC1=CC=C(C=C1)C(=O)CCN1CCCCC1

PubChem CID 68304
CAS 536-43-6
Molecular Weight (g/mol) 325.88
ChEBI CHEBI:4725
MDL Number MFCD00035386
SMILES [H+].[Cl-].CCCCOC1=CC=C(C=C1)C(=O)CCN1CCCCC1
Synonym dyclonine hydrochloride,dyclonine hcl,dyclone,dyclothane,tanaclone,4'-butoxy-3-piperidinopropiophenone hydrochloride,dyclocaine hydrochloride,unii-zec193879q,1-propanone, 1-4-butoxyphenyl-3-1-piperidinyl-, hydrochloride
IUPAC Name hydrogen 1-(4-butoxyphenyl)-3-(piperidin-1-yl)propan-1-one chloride
InChI Key KNZADIMHVBBPOA-UHFFFAOYSA-N
Molecular Formula C18H28ClNO2
13

(S)-Trichostatic Acid 98.0+%, TCI America™

CAS: 68690-19-7 Molecular Formula: C17H21NO3 Molecular Weight (g/mol): 287.359 InChI Key: VKEITMNFEJHFCX-LEJRBOCMSA-N Synonym: (S,2E,4E)-7-[4-(Dimethylamino)phenyl]-4,6-dimethyl-7-oxo-2,4-heptadienoic Acid PubChem CID: 14100757 ChEBI: CHEBI:39159 IUPAC Name: (2E,4E,6S)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienoic acid SMILES: CC(C=C(C)C=CC(=O)O)C(=O)C1=CC=C(C=C1)N(C)C

PubChem CID 14100757
CAS 68690-19-7
Molecular Weight (g/mol) 287.359
ChEBI CHEBI:39159
SMILES CC(C=C(C)C=CC(=O)O)C(=O)C1=CC=C(C=C1)N(C)C
Synonym (S,2E,4E)-7-[4-(Dimethylamino)phenyl]-4,6-dimethyl-7-oxo-2,4-heptadienoic Acid
IUPAC Name (2E,4E,6S)-7-[4-(dimethylamino)phenyl]-4,6-dimethyl-7-oxohepta-2,4-dienoic acid
InChI Key VKEITMNFEJHFCX-LEJRBOCMSA-N
Molecular Formula C17H21NO3
14

1,5-Dibromoanthraquinone 93.0+%, TCI America™

CAS: 602-77-7 Molecular Formula: C14H6Br2O2 Molecular Weight (g/mol): 366.008 InChI Key: SRRLOAAMZYZYQY-UHFFFAOYSA-N PubChem CID: 639109 IUPAC Name: 1,5-dibromoanthracene-9,10-dione SMILES: C1=CC2=C(C(=C1)Br)C(=O)C3=C(C2=O)C(=CC=C3)Br

PubChem CID 639109
CAS 602-77-7
Molecular Weight (g/mol) 366.008
SMILES C1=CC2=C(C(=C1)Br)C(=O)C3=C(C2=O)C(=CC=C3)Br
IUPAC Name 1,5-dibromoanthracene-9,10-dione
InChI Key SRRLOAAMZYZYQY-UHFFFAOYSA-N
Molecular Formula C14H6Br2O2
15

1-Hydroxyanthraquinone 98.0+%, TCI America™

CAS: 129-43-1 Molecular Formula: C14H8O3 Molecular Weight (g/mol): 224.215 MDL Number: MFCD00058946 InChI Key: BTLXPCBPYBNQNR-UHFFFAOYSA-N PubChem CID: 8512 ChEBI: CHEBI:28877 IUPAC Name: 1-hydroxyanthracene-9,10-dione SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)O

PubChem CID 8512
CAS 129-43-1
Molecular Weight (g/mol) 224.215
ChEBI CHEBI:28877
MDL Number MFCD00058946
SMILES C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)O
IUPAC Name 1-hydroxyanthracene-9,10-dione
InChI Key BTLXPCBPYBNQNR-UHFFFAOYSA-N
Molecular Formula C14H8O3