Unclassified Organic Compounds

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

31 – 45 of 114,981 results

Cyclooctanone, 98%

CAS: 502-49-8 Molecular Formula: C₈H₁₄O Molecular Weight (g/mol): 126.2 MDL Number: MFCD00001754 InChI Key: IIRFCWANHMSDCG-UHFFFAOYSA-N Synonym: cyclooctan-1-one,cyclooctyloxy,chembl18737,cyclooctanon,oxocyclooctane,cyclo-octanone,cyclooctanone,acmc-209kku,wln: l8vtj,4-07-00-00049 beilstein handbook reference PubChem CID: 10403 IUPAC Name: cyclooctanone SMILES: C1CCCC(=O)CCC1

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Specifications

PubChem CID	10403
CAS	502-49-8
Molecular Weight (g/mol)	126.2
MDL Number	MFCD00001754
SMILES	C1CCCC(=O)CCC1
Synonym	cyclooctan-1-one,cyclooctyloxy,chembl18737,cyclooctanon,oxocyclooctane,cyclo-octanone,cyclooctanone,acmc-209kku,wln: l8vtj,4-07-00-00049 beilstein handbook reference
IUPAC Name	cyclooctanone
InChI Key	IIRFCWANHMSDCG-UHFFFAOYSA-N
Molecular Formula	C₈H₁₄O

Calcium thioglycolate trihydrate, 99%

CAS: 5793-98-6 Molecular Formula: C2H10CaO5S Molecular Weight (g/mol): 186.24 MDL Number: MFCD00150707 InChI Key: GDECCIJZCWLFSB-UHFFFAOYSA-N Synonym: calciumthioglycolatetrihydrate PubChem CID: 131881455 SMILES: O.O.O.[Ca].OC(=O)CS

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Specifications

PubChem CID	131881455
CAS	5793-98-6
Molecular Weight (g/mol)	186.24
MDL Number	MFCD00150707
SMILES	O.O.O.[Ca].OC(=O)CS
Synonym	calciumthioglycolatetrihydrate
InChI Key	GDECCIJZCWLFSB-UHFFFAOYSA-N
Molecular Formula	C2H10CaO5S

(±)-Methyl 2-benzyloxycarbonylamino-2-(dimethoxyphosphinyl)acetate, 95%

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Lopinavir, 98%, Thermo Scientific Chemicals

CAS: 192725-17-0 Molecular Formula: C37H48N4O5 Molecular Weight (g/mol): 628.81 MDL Number: MFCD22628840 InChI Key: KJHKTHWMRKYKJE-SUGCFTRWSA-N PubChem CID: 133109001 IUPAC Name: N-[(2R,4R,5R)-5-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide SMILES: CC(C)[C@H](N1CCCNC1=O)C(=O)N[C@H](C[C@H](O)[C@H](CC1=CC=CC=C1)NC(=O)COC1=C(C)C=CC=C1C)CC1=CC=CC=C1

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Specifications

PubChem CID	133109001
CAS	192725-17-0
Molecular Weight (g/mol)	628.81
MDL Number	MFCD22628840
SMILES	CC(C)[C@H](N1CCCNC1=O)C(=O)N[C@H](C[C@H](O)[C@H](CC1=CC=CC=C1)NC(=O)COC1=C(C)C=CC=C1C)CC1=CC=CC=C1
IUPAC Name	N-[(2R,4R,5R)-5-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide
InChI Key	KJHKTHWMRKYKJE-SUGCFTRWSA-N
Molecular Formula	C37H48N4O5

O-tert-Butyl-L-serine, 97%

CAS: 18822-58-7 InChI Key: DDCPKNYKNWXULB-YFKPBYRVSA-N Synonym: h-ser tbu-oh,o-tert-butyl-l-serine,o-t-butyl-l-serine,s-2-amino-3-tert-butoxy propanoic acid,l-serine, o-1,1-dimethylethyl,2s-2-amino-3-tert-butoxy propanoic acid,2s-2-amino-3-2-methylpropan-2-yl oxy propanoic acid,ser tbu-oh,h-ser but-oh PubChem CID: 7004940 IUPAC Name: (2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoic acid SMILES: CC(C)(C)OCC(C(=O)O)N

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Specifications

PubChem CID	7004940
CAS	18822-58-7
SMILES	CC(C)(C)OCC(C(=O)O)N
Synonym	h-ser tbu-oh,o-tert-butyl-l-serine,o-t-butyl-l-serine,s-2-amino-3-tert-butoxy propanoic acid,l-serine, o-1,1-dimethylethyl,2s-2-amino-3-tert-butoxy propanoic acid,2s-2-amino-3-2-methylpropan-2-yl oxy propanoic acid,ser tbu-oh,h-ser but-oh
IUPAC Name	(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoic acid
InChI Key	DDCPKNYKNWXULB-YFKPBYRVSA-N

4,4-Dimethyl-2-cyclohexen-1-one, 97%

CAS: 1073-13-8 Molecular Formula: C8H12O Molecular Weight (g/mol): 124.18 MDL Number: MFCD00009695 InChI Key: HAUNPYVLVAIUOO-UHFFFAOYSA-N Synonym: 4,4-dimethyl-2-cyclohexen-1-one,4,4-dimethylcyclohex-2-enone,2-cyclohexen-1-one, 4,4-dimethyl,4,4-dimethyl-2-cyclohexenone,4,4-dimethylcyclohexenone,4,4-dimethyl-2-cyclohexene-1-one,4,4-dimethyl-cyclohex-2-en-1-one,pubchem17152,acmc-1bxzo,3,3-dimethylcyclohexene-6-one PubChem CID: 136839 IUPAC Name: 4,4-dimethylcyclohex-2-en-1-one SMILES: CC1(C)CCC(=O)C=C1

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Specifications

PubChem CID	136839
CAS	1073-13-8
Molecular Weight (g/mol)	124.18
MDL Number	MFCD00009695
SMILES	CC1(C)CCC(=O)C=C1
Synonym	4,4-dimethyl-2-cyclohexen-1-one,4,4-dimethylcyclohex-2-enone,2-cyclohexen-1-one, 4,4-dimethyl,4,4-dimethyl-2-cyclohexenone,4,4-dimethylcyclohexenone,4,4-dimethyl-2-cyclohexene-1-one,4,4-dimethyl-cyclohex-2-en-1-one,pubchem17152,acmc-1bxzo,3,3-dimethylcyclohexene-6-one
IUPAC Name	4,4-dimethylcyclohex-2-en-1-one
InChI Key	HAUNPYVLVAIUOO-UHFFFAOYSA-N
Molecular Formula	C8H12O

Tritolyl phosphate, 63-85%, technical, residue other tolyl phosphate isomers

CAS: 1330-78-5 Molecular Formula: C₂₁H₂₁O₄P Molecular Weight (g/mol): 368.36 MDL Number: MFCD02102116 Synonym: Tricresyl phosphate

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Specifications

CAS	1330-78-5
Molecular Weight (g/mol)	368.36
MDL Number	MFCD02102116
Synonym	Tricresyl phosphate
Molecular Formula	C₂₁H₂₁O₄P

Thermo Scientific Chemicals Coenzyme Q10, 98%

CAS: 303-98-0 Molecular Formula: C59H90O4 Molecular Weight (g/mol): 863.37 MDL Number: MFCD00042919 InChI Key: ACTIUHUUMQJHFO-UPTCCGCDSA-N Synonym: coenzyme q10,ubidecarenone,ubiquinone 50,coq10,ubiquinone-10,neuquinon,ubiquinone,justquinon,neuquinone,emitolon PubChem CID: 5281915 ChEBI: CHEBI:46245 SMILES: COC1=C(OC)C(=O)C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=C(C)C1=O

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Specifications

PubChem CID	5281915
CAS	303-98-0
Molecular Weight (g/mol)	863.37
ChEBI	CHEBI:46245
MDL Number	MFCD00042919
SMILES	COC1=C(OC)C(=O)C(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)=C(C)C1=O
Synonym	coenzyme q10,ubidecarenone,ubiquinone 50,coq10,ubiquinone-10,neuquinon,ubiquinone,justquinon,neuquinone,emitolon
InChI Key	ACTIUHUUMQJHFO-UPTCCGCDSA-N
Molecular Formula	C59H90O4

Tylosin phosphate, Thermo Scientific Chemicals

CAS: 1405-53-4 Molecular Formula: C46H80NO21P Molecular Weight (g/mol): 1014.11 InChI Key: NBOODGNJLRRJNA-IAGPQMRQSA-N IUPAC Name: 2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-{[(2R,3R,4R,5S,6R)-5-{[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy}-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-16-ethyl-4-hydroxy-15-({[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxy}methyl)-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde; phosphoric acid SMILES: OP(O)(O)=O.CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@@H]([C@H]2O)N(C)C)[C@@H](CC=O)C[C@@H](C)C(=O)\C=C\C(\C)=C\[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC

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Specifications

CAS	1405-53-4
Molecular Weight (g/mol)	1014.11
SMILES	OP(O)(O)=O.CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@@H]([C@H]2O)N(C)C)[C@@H](CC=O)C[C@@H](C)C(=O)\C=C\C(\C)=C\[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC
IUPAC Name	2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-{[(2R,3R,4R,5S,6R)-5-{[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy}-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-16-ethyl-4-hydroxy-15-({[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxy}methyl)-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde; phosphoric acid
InChI Key	NBOODGNJLRRJNA-IAGPQMRQSA-N
Molecular Formula	C46H80NO21P

Thermo Scientific Chemicals Thiacloprid

CAS: 111988-49-9 Molecular Formula: C10H9ClN4S Molecular Weight (g/mol): 252.72 InChI Key: HOKKPVIRMVDYPB-UHFFFAOYSA-N IUPAC Name: ({3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}amino)formonitrile SMILES: ClC1=CC=C(CN2CCSC2=NC#N)C=N1

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Specifications

CAS	111988-49-9
Molecular Weight (g/mol)	252.72
SMILES	ClC1=CC=C(CN2CCSC2=NC#N)C=N1
IUPAC Name	({3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}amino)formonitrile
InChI Key	HOKKPVIRMVDYPB-UHFFFAOYSA-N
Molecular Formula	C10H9ClN4S

Thermo Scientific Chemicals Pravastatin sodium salt hydrate

CAS: 2244386-63-6 Molecular Formula: C23H35NaO7 Molecular Weight (g/mol): 446.52 MDL Number: MFCD00887601 InChI Key: VWBQYTRBTXKKOG-IYNICTALSA-M IUPAC Name: sodium (3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate SMILES: [Na+].[H][C@]12[C@H](C[C@H](O)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC([O-])=O)OC(=O)[C@@H](C)CC

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Specifications

CAS	2244386-63-6
Molecular Weight (g/mol)	446.52
MDL Number	MFCD00887601
SMILES	[Na+].[H][C@]12[C@H](C[C@H](O)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC([O-])=O)OC(=O)[C@@H](C)CC
IUPAC Name	sodium (3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate
InChI Key	VWBQYTRBTXKKOG-IYNICTALSA-M
Molecular Formula	C23H35NaO7

Bosutinib

CAS: 380843-75-4 Molecular Formula: C26H29Cl2N5O3 Molecular Weight (g/mol): 530.45 InChI Key: UBPYILGKFZZVDX-UHFFFAOYSA-N IUPAC Name: 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile SMILES: COC1=CC(NC2=C3C=C(OC)C(OCCCN4CCN(C)CC4)=CC3=NC=C2C#N)=C(Cl)C=C1Cl

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Specifications

CAS	380843-75-4
Molecular Weight (g/mol)	530.45
SMILES	COC1=CC(NC2=C3C=C(OC)C(OCCCN4CCN(C)CC4)=CC3=NC=C2C#N)=C(Cl)C=C1Cl
IUPAC Name	4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile
InChI Key	UBPYILGKFZZVDX-UHFFFAOYSA-N
Molecular Formula	C26H29Cl2N5O3

3,3'-Iminobis(N,N-dimethylpropylamine)

CAS: 6711-48-4 Molecular Formula: C10H25N3 Molecular Weight (g/mol): 187.33 InChI Key: BXYVQNNEFZOBOZ-UHFFFAOYSA-N IUPAC Name: (3-{[3-(dimethylamino)propyl]amino}propyl)dimethylamine SMILES: CN(C)CCCNCCCN(C)C

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Specifications

CAS	6711-48-4
Molecular Weight (g/mol)	187.33
SMILES	CN(C)CCCNCCCN(C)C
IUPAC Name	(3-{[3-(dimethylamino)propyl]amino}propyl)dimethylamine
InChI Key	BXYVQNNEFZOBOZ-UHFFFAOYSA-N
Molecular Formula	C10H25N3

Dipropylene glycol monobutyl ether

CAS: 29911-28-2 Molecular Formula: C10H22O3 Molecular Weight (g/mol): 190.28 InChI Key: CUVLMZNMSPJDON-UHFFFAOYNA-N IUPAC Name: 1-[(1-butoxypropan-2-yl)oxy]propan-2-ol SMILES: CCCCOCC(C)OCC(C)O

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Specifications

CAS	29911-28-2
Molecular Weight (g/mol)	190.28
SMILES	CCCCOCC(C)OCC(C)O
IUPAC Name	1-[(1-butoxypropan-2-yl)oxy]propan-2-ol
InChI Key	CUVLMZNMSPJDON-UHFFFAOYNA-N
Molecular Formula	C10H22O3

Diethyl Acetamidomalonate, 99+%

CAS: 1068-90-2 Molecular Formula: C₉H₁₅NO₅ Molecular Weight (g/mol): 217.22 MDL Number: MFCD00009146 InChI Key: ISOLMABRZPQKOV-UHFFFAOYSA-N Synonym: diethyl acetamidomalonate,diethyl 2-acetamidomalonate,diethyl acetaminomalonate,diethyl acetylaminomalonate,acetamidomalonic acid diethyl ester,2-acetylaminomalonic acid diethyl ester,1,3-diethyl 2-acetamidopropanedioate,diethyl acetylamino malonate,propanedioic acid, acetylamino-, diethyl ester,acetylamino propanedioic acid diethyl ester PubChem CID: 14041 IUPAC Name: diethyl 2-acetamidopropanedioate SMILES: CCOC(=O)C(C(=O)OCC)NC(=O)C

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Specifications

PubChem CID	14041
CAS	1068-90-2
Molecular Weight (g/mol)	217.22
MDL Number	MFCD00009146
SMILES	CCOC(=O)C(C(=O)OCC)NC(=O)C
Synonym	diethyl acetamidomalonate,diethyl 2-acetamidomalonate,diethyl acetaminomalonate,diethyl acetylaminomalonate,acetamidomalonic acid diethyl ester,2-acetylaminomalonic acid diethyl ester,1,3-diethyl 2-acetamidopropanedioate,diethyl acetylamino malonate,propanedioic acid, acetylamino-, diethyl ester,acetylamino propanedioic acid diethyl ester
IUPAC Name	diethyl 2-acetamidopropanedioate
InChI Key	ISOLMABRZPQKOV-UHFFFAOYSA-N
Molecular Formula	C₉H₁₅NO₅

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