Unclassified Organic Compounds

Organic compounds that do not fit into any other organic chemical classification.

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D-Galactose (White to Off-white Powder), Fisher BioReagents

CAS: 59-23-4 Molecular Formula: C₆H₁₂O₆

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CAS	59-23-4
Molecular Formula	C₆H₁₂O₆

Pepstatin A, Fisher BioReagents

CAS: 26305-03-3 Molecular Formula: C34H63N5O9 Molecular Weight (g/mol): 685.904 InChI Key: FAXGPCHRFPCXOO-WQILDUGRSA-N Synonym: pepstatin a PubChem CID: 131801262 IUPAC Name: (3R,4S)-3-hydroxy-4-[[(2R)-2-[[(3R,4S)-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoyl]amino]-6-methylheptanoic acid SMILES: CC(C)CC(C(CC(=O)O)O)NC(=O)C(C)NC(=O)CC(C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)CC(C)C)O

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PubChem CID	131801262
CAS	26305-03-3
Molecular Weight (g/mol)	685.904
SMILES	CC(C)CC(C(CC(=O)O)O)NC(=O)C(C)NC(=O)CC(C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)CC(C)C)O
Synonym	pepstatin a
IUPAC Name	(3R,4S)-3-hydroxy-4-[[(2R)-2-[[(3R,4S)-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoyl]amino]-6-methylheptanoic acid
InChI Key	FAXGPCHRFPCXOO-WQILDUGRSA-N
Molecular Formula	C34H63N5O9

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Guanidine Thiocyanate (White Crystalline Powder), Fisher BioReagents™

CAS: 593-84-0 Molecular Formula: C₂H₆N₄S Synonym: Guanidinium Isothiocyanate

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Specifications

CAS	593-84-0
Synonym	Guanidinium Isothiocyanate
Molecular Formula	C₂H₆N₄S

Kerosene (Odorless), Fisher Chemical™

CAS: 64742-47-8 MDL Number: MFCD00135561

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CAS	64742-47-8
MDL Number	MFCD00135561

Kojic acid, 99%

CAS: 501-30-4 Molecular Formula: C6H6O4 Molecular Weight (g/mol): 142.11 MDL Number: MFCD00006580 InChI Key: BEJNERDRQOWKJM-UHFFFAOYSA-N Synonym: kojic acid,5-hydroxy-2-hydroxymethyl-4h-pyran-4-one,5-hydroxy-2-hydroxymethyl-4-pyrone,4h-pyran-4-one, 5-hydroxy-2-hydroxymethyl,5-hydroxy-2-hydroxymethyl pyran-4-one,acido kojico,2-hydroxymethyl-5-hydroxy-gamma-pyrone,2-hydroxymethyl-5-hydroxy-4h-pyran-4-one,unii-6k23f1tt52 PubChem CID: 3840 ChEBI: CHEBI:43572 IUPAC Name: 5-hydroxy-2-(hydroxymethyl)pyran-4-one SMILES: OCC1=CC(=O)C(O)=CO1

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Specifications

PubChem CID	3840
CAS	501-30-4
Molecular Weight (g/mol)	142.11
ChEBI	CHEBI:43572
MDL Number	MFCD00006580
SMILES	OCC1=CC(=O)C(O)=CO1
Synonym	kojic acid,5-hydroxy-2-hydroxymethyl-4h-pyran-4-one,5-hydroxy-2-hydroxymethyl-4-pyrone,4h-pyran-4-one, 5-hydroxy-2-hydroxymethyl,5-hydroxy-2-hydroxymethyl pyran-4-one,acido kojico,2-hydroxymethyl-5-hydroxy-gamma-pyrone,2-hydroxymethyl-5-hydroxy-4h-pyran-4-one,unii-6k23f1tt52
IUPAC Name	5-hydroxy-2-(hydroxymethyl)pyran-4-one
InChI Key	BEJNERDRQOWKJM-UHFFFAOYSA-N
Molecular Formula	C6H6O4

JWH-073 4-Butanoic Acid Metabolite Solution, 100 μg/mL in Methanol, Ampule of 1 mL, Certified Reference Material, Cerilliant™

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N-Methylanilinium trifluoroacetate, 99%

CAS: 29885-95-8 Molecular Formula: C₇H₁₀N·CF₃CO₂ MDL Number: MFCD00043278 Synonym: TAMA; Trifluoroacetic acid N-methylanilinium salt

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CAS	29885-95-8
MDL Number	MFCD00043278
Synonym	TAMA; Trifluoroacetic acid N-methylanilinium salt
Molecular Formula	C₇H₁₀N·CF₃CO₂

Benzyltributylammonium chloride, 98+%

CAS: 23616-79-7 Molecular Formula: C19H34ClN Molecular Weight (g/mol): 311.94 MDL Number: MFCD00011849 InChI Key: VJGNLOIQCWLBJR-UHFFFAOYSA-M Synonym: benzyltributylammonium chloride,n-benzyl-n,n-dibutylbutan-1-aminium chloride,benzyltri-n-butylammonium chloride,benzyl tributyl ammonium chloride,benzenemethanaminium, n,n,n-tributyl-, chloride,tributylbenzylammonium chloride,benzyltributylazanium chloride,benzyltributyl ammonium chloride,benzyl-tributyl-azanium,btbac PubChem CID: 159952 IUPAC Name: benzyl(tributyl)azanium;chloride SMILES: [Cl-].CCCC[N+](CCCC)(CCCC)CC1=CC=CC=C1

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PubChem CID	159952
CAS	23616-79-7
Molecular Weight (g/mol)	311.94
MDL Number	MFCD00011849
SMILES	[Cl-].CCCC[N+](CCCC)(CCCC)CC1=CC=CC=C1
Synonym	benzyltributylammonium chloride,n-benzyl-n,n-dibutylbutan-1-aminium chloride,benzyltri-n-butylammonium chloride,benzyl tributyl ammonium chloride,benzenemethanaminium, n,n,n-tributyl-, chloride,tributylbenzylammonium chloride,benzyltributylazanium chloride,benzyltributyl ammonium chloride,benzyl-tributyl-azanium,btbac
IUPAC Name	benzyl(tributyl)azanium;chloride
InChI Key	VJGNLOIQCWLBJR-UHFFFAOYSA-M
Molecular Formula	C19H34ClN

MilliporeSigma™ Thiostrepton, Calbiochem™,

CAS: 1393-48-2 Molecular Formula: C72H85N19O18S5 Molecular Weight (g/mol): 1664.89 MDL Number: MFCD00135828,MFCD00135828 InChI Key: NSFFHOGKXHRQEW-DVRIZHICNA-N Synonym: thiostrepton PubChem CID: 122173112 IUPAC Name: 2-({2-[(11E)-37-(butan-2-yl)-18-(2,3-dihydroxybutan-2-yl)-11-ethylidene-59-hydroxy-8,60-bis(1-hydroxyethyl)-26,40,46-trimethyl-43-methylidene-6,9,16,23,28,38,41,44,47-nonaoxo-27-oxa-3,13,20,56-tetrathia-7,10,17,24,30,36,39,42,45,48,52,58,62,63,64-pentadecaazanonacyclo[23.23.9.2²⁹,³².1²,⁵.1¹²,¹⁵.1¹⁹,²².1³¹,³⁵.1⁵⁴,⁵⁷.0¹,⁵³]tetrahexaconta-2(64),4,12(63),19(62),21,29(61),30,32(60),33,51,54,57-dodecaen-51-yl]-1,3-thiazol-4-yl}formamido)-N-(1-carbamoyleth-1-en-1-yl)prop-2-enamide SMILES: CCC(C)C1NC2C=CC3=C(C=C(N=C3C2O)C(=O)OC(C)C2NC(=O)C3=CSC(=N3)C(NC(=O)C3CSC(=N3)\C(NC(=O)C(NC(=O)C3=CSC(=N3)C3(CCC(=NC3C3=CSC2=N3)C2=NC(=CS2)C(=O)NC(=C)C(=O)NC(=C)C(N)=O)NC(=O)C(C)NC(=O)C(=C)NC(=O)C(C)NC1=O)C(C)O)=C/C)C(C)(O)C(C)O)C(C)O

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Specifications

PubChem CID	122173112
CAS	1393-48-2
Molecular Weight (g/mol)	1664.89
MDL Number	MFCD00135828,MFCD00135828
SMILES	CCC(C)C1NC2C=CC3=C(C=C(N=C3C2O)C(=O)OC(C)C2NC(=O)C3=CSC(=N3)C(NC(=O)C3CSC(=N3)\C(NC(=O)C(NC(=O)C3=CSC(=N3)C3(CCC(=NC3C3=CSC2=N3)C2=NC(=CS2)C(=O)NC(=C)C(=O)NC(=C)C(N)=O)NC(=O)C(C)NC(=O)C(=C)NC(=O)C(C)NC1=O)C(C)O)=C/C)C(C)(O)C(C)O)C(C)O
Synonym	thiostrepton
IUPAC Name	2-({2-[(11E)-37-(butan-2-yl)-18-(2,3-dihydroxybutan-2-yl)-11-ethylidene-59-hydroxy-8,60-bis(1-hydroxyethyl)-26,40,46-trimethyl-43-methylidene-6,9,16,23,28,38,41,44,47-nonaoxo-27-oxa-3,13,20,56-tetrathia-7,10,17,24,30,36,39,42,45,48,52,58,62,63,64-pentadecaazanonacyclo[23.23.9.2²⁹,³².1²,⁵.1¹²,¹⁵.1¹⁹,²².1³¹,³⁵.1⁵⁴,⁵⁷.0¹,⁵³]tetrahexaconta-2(64),4,12(63),19(62),21,29(61),30,32(60),33,51,54,57-dodecaen-51-yl]-1,3-thiazol-4-yl}formamido)-N-(1-carbamoyleth-1-en-1-yl)prop-2-enamide
InChI Key	NSFFHOGKXHRQEW-DVRIZHICNA-N
Molecular Formula	C72H85N19O18S5

1-Phenyl-1-[4-(1-piperidinyl)phenyl]-2-propyn-1-ol, 97%

CAS: 214746-69-7 Molecular Formula: C20H21NO Molecular Weight (g/mol): 291.394 MDL Number: MFCD17677347 InChI Key: AIBIEAJBGHJQJF-UHFFFAOYSA-N Synonym: 1-phenyl-1-4-1-piperidinyl phenyl-2-propyn-1-ol,1-phenyl-1-4-piperidin-1-yl phenyl prop-2-yn-1-ol,1-phenyl-1-4-piperidinophenyl prop-2-yn-1-ol,1-4-piperidinophenyl-1-phenyl-2-propyne-1-ol PubChem CID: 15536835 IUPAC Name: 1-phenyl-1-(4-piperidin-1-ylphenyl)prop-2-yn-1-ol SMILES: C#CC(C1=CC=CC=C1)(C2=CC=C(C=C2)N3CCCCC3)O

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PubChem CID	15536835
CAS	214746-69-7
Molecular Weight (g/mol)	291.394
MDL Number	MFCD17677347
SMILES	C#CC(C1=CC=CC=C1)(C2=CC=C(C=C2)N3CCCCC3)O
Synonym	1-phenyl-1-4-1-piperidinyl phenyl-2-propyn-1-ol,1-phenyl-1-4-piperidin-1-yl phenyl prop-2-yn-1-ol,1-phenyl-1-4-piperidinophenyl prop-2-yn-1-ol,1-4-piperidinophenyl-1-phenyl-2-propyne-1-ol
IUPAC Name	1-phenyl-1-(4-piperidin-1-ylphenyl)prop-2-yn-1-ol
InChI Key	AIBIEAJBGHJQJF-UHFFFAOYSA-N
Molecular Formula	C20H21NO

Ibuprofen , ≥98% (HPLC), MilliporeSigma™ Supelco™

MDL Number: MFCD00010393 Synonym: alpha-Methyl-4-(isobutyl)phenylacetic acid; (+/-)-2-(4-Isobutylphenyl)propanoic acid

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MDL Number	MFCD00010393
Synonym	alpha-Methyl-4-(isobutyl)phenylacetic acid; (+/-)-2-(4-Isobutylphenyl)propanoic acid

1,4-Cyclohexanedione, 98%

CAS: 637-88-7 Molecular Formula: C6H8O2 Molecular Weight (g/mol): 112.128 MDL Number: MFCD00001606 InChI Key: DCZFGQYXRKMVFG-UHFFFAOYSA-N Synonym: 1,4-cyclohexanedione,tetrahydroquinone,1,4-dioxocyclohexane,1,4-cyclohexandione,1,4 cyclohexane dione,1,4-cyclohexane-dione,cyclohexan-1,4-dione,pubchem13686,cyclohexane-1,4-quinone,acmc-1b8ar PubChem CID: 12511 ChEBI: CHEBI:28286 IUPAC Name: cyclohexane-1,4-dione SMILES: C1CC(=O)CCC1=O

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PubChem CID	12511
CAS	637-88-7
Molecular Weight (g/mol)	112.128
ChEBI	CHEBI:28286
MDL Number	MFCD00001606
SMILES	C1CC(=O)CCC1=O
Synonym	1,4-cyclohexanedione,tetrahydroquinone,1,4-dioxocyclohexane,1,4-cyclohexandione,1,4 cyclohexane dione,1,4-cyclohexane-dione,cyclohexan-1,4-dione,pubchem13686,cyclohexane-1,4-quinone,acmc-1b8ar
IUPAC Name	cyclohexane-1,4-dione
InChI Key	DCZFGQYXRKMVFG-UHFFFAOYSA-N
Molecular Formula	C6H8O2

Thermo Scientific Chemicals Silibinin

CAS: 22888-70-6 Molecular Formula: C25H22O10 Molecular Weight (g/mol): 482.44 InChI Key: SEBFKMXJBCUCAI-UHFFFAOYNA-N IUPAC Name: 3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3,4-dihydro-2H-1-benzopyran-4-one SMILES: COC1=CC(=CC=C1O)C1OC2=CC(=CC=C2OC1CO)C1OC2=CC(O)=CC(O)=C2C(=O)C1O

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Specifications

CAS	22888-70-6
Molecular Weight (g/mol)	482.44
SMILES	COC1=CC(=CC=C1O)C1OC2=CC(=CC=C2OC1CO)C1OC2=CC(O)=CC(O)=C2C(=O)C1O
IUPAC Name	3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3,4-dihydro-2H-1-benzopyran-4-one
InChI Key	SEBFKMXJBCUCAI-UHFFFAOYNA-N
Molecular Formula	C25H22O10

Zanamivir monohydrate

CAS: 1260601-68-0 Molecular Formula: C12 H20 N4 O7 . H2 O Molecular Weight (g/mol): 350.33 MDL Number: MFCD00866966

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Specifications

CAS	1260601-68-0
Molecular Weight (g/mol)	350.33
MDL Number	MFCD00866966
Molecular Formula	C12 H20 N4 O7 . H2 O

Thermo Scientific Chemicals Diethylcarbamazine

CAS: 90-89-1 Molecular Formula: C10H21N3O Molecular Weight (g/mol): 199.30 InChI Key: RCKMWOKWVGPNJF-UHFFFAOYSA-N IUPAC Name: N,N-diethyl-4-methylpiperazine-1-carboxamide SMILES: CCN(CC)C(=O)N1CCN(C)CC1

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CAS	90-89-1
Molecular Weight (g/mol)	199.30
SMILES	CCN(CC)C(=O)N1CCN(C)CC1
IUPAC Name	N,N-diethyl-4-methylpiperazine-1-carboxamide
InChI Key	RCKMWOKWVGPNJF-UHFFFAOYSA-N
Molecular Formula	C10H21N3O

Unclassified Organic Compounds

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