Unclassified Organic Compounds

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

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Safflower oil, Carthamus tinctorius

CAS: 8001-23-8 MDL Number: MFCD00132216 Synonym: Carthamus tinctorius oil

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CAS	8001-23-8
MDL Number	MFCD00132216
Synonym	Carthamus tinctorius oil

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Thermo Scientific Chemicals (-)-Epinephrine (+)-bitartrate salt, 98+%

CAS: 51-42-3 Molecular Formula: C13H19NO9 Molecular Weight (g/mol): 333.29 MDL Number: MFCD00035077 InChI Key: YLXIPWWIOISBDD-NDAAPVSOSA-N Synonym: L-Adrenaline (+)-bitartrate salt,L-Adrenaline D-hydrogentartrate PubChem CID: 124080922 SMILES: O[C@H]([C@@H](O)C(O)=O)C(O)=O.CNC[C@H](O)C1=CC=C(O)C(O)=C1

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Specifications

PubChem CID	124080922
CAS	51-42-3
Molecular Weight (g/mol)	333.29
MDL Number	MFCD00035077
SMILES	O[C@H]([C@@H](O)C(O)=O)C(O)=O.CNC[C@H](O)C1=CC=C(O)C(O)=C1
Synonym	L-Adrenaline (+)-bitartrate salt,L-Adrenaline D-hydrogentartrate
InChI Key	YLXIPWWIOISBDD-NDAAPVSOSA-N
Molecular Formula	C13H19NO9

L-Ascorbic Acid 2-Phosphate Sesquimagnesium Salt Hydrate 98.0+%, TCI America™

CAS: 113170-55-1 Molecular Formula: C12H18Mg3O18P2 Molecular Weight (g/mol): 585.12 MDL Number: MFCD08063372 InChI Key: IRBRZNUQJUHOBT-UHFFFAOYNA-N PubChem CID: 129894323 IUPAC Name: bis({[5-(1,2-dihydroxyethyl)-4-hydroxy-2-oxo-2,5-dihydrofuran-3-yl]oxy}phosphonic acid) trimagnesium SMILES: [Mg].[Mg].[Mg].OCC(O)C1OC(=O)C(OP(O)(O)=O)=C1O.OCC(O)C1OC(=O)C(OP(O)(O)=O)=C1O

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Specifications

PubChem CID	129894323
CAS	113170-55-1
Molecular Weight (g/mol)	585.12
MDL Number	MFCD08063372
SMILES	[Mg].[Mg].[Mg].OCC(O)C1OC(=O)C(OP(O)(O)=O)=C1O.OCC(O)C1OC(=O)C(OP(O)(O)=O)=C1O
IUPAC Name	bis({[5-(1,2-dihydroxyethyl)-4-hydroxy-2-oxo-2,5-dihydrofuran-3-yl]oxy}phosphonic acid) trimagnesium
InChI Key	IRBRZNUQJUHOBT-UHFFFAOYNA-N
Molecular Formula	C12H18Mg3O18P2

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Sesame oil

CAS: 8008-74-0 MDL Number: MFCD00132243

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Specifications

CAS	8008-74-0
MDL Number	MFCD00132243

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Betaine, 98%, for analysis, anhydrous

CAS: 107-43-7 Molecular Formula: C₅H₁₁NO₂ Molecular Weight (g/mol): 117.15 MDL Number: MFCD00012123 InChI Key: KWIUHFFTVRNATP-UHFFFAOYSA-N Synonym: betaine,glycine betaine,oxyneurine,lycine,trimethylglycine,abromine,trimethylglycocoll,glycylbetaine,glycocoll betaine,acidin-pepsin PubChem CID: 247 ChEBI: CHEBI:17750 IUPAC Name: 2-(trimethylazaniumyl)acetate SMILES: C[N+](C)(C)CC(=O)[O-]

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PubChem CID	247
CAS	107-43-7
Molecular Weight (g/mol)	117.15
ChEBI	CHEBI:17750
MDL Number	MFCD00012123
SMILES	C[N+](C)(C)CC(=O)[O-]
Synonym	betaine,glycine betaine,oxyneurine,lycine,trimethylglycine,abromine,trimethylglycocoll,glycylbetaine,glycocoll betaine,acidin-pepsin
IUPAC Name	2-(trimethylazaniumyl)acetate
InChI Key	KWIUHFFTVRNATP-UHFFFAOYSA-N
Molecular Formula	C₅H₁₁NO₂

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Brucine sulfate heptahydrate, 98+%, ACS reagent

CAS: 60583-39-3 Molecular Formula: C46H68N4O19S Molecular Weight (g/mol): 1013.12 MDL Number: MFCD00150159 InChI Key: PPJIVFYMRNHHTJ-UMRIXEKQSA-N Synonym: brucinesulfateheptahydrate fornitrateanalysis PubChem CID: 126969999 IUPAC Name: (4aR,5aR,8aR,13aR,15aS,15bR)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinoline-14-one;sulfuric acid;heptahydrate SMILES: O.O.O.O.O.O.O.OS(O)(=O)=O.COC1=CC2=C(C=C1OC)C13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@@H]34.COC1=CC2=C(C=C1OC)C13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@@H]34

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Specifications

PubChem CID	126969999
CAS	60583-39-3
Molecular Weight (g/mol)	1013.12
MDL Number	MFCD00150159
SMILES	O.O.O.O.O.O.O.OS(O)(=O)=O.COC1=CC2=C(C=C1OC)C13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@@H]34.COC1=CC2=C(C=C1OC)C13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@@H]34
Synonym	brucinesulfateheptahydrate fornitrateanalysis
IUPAC Name	(4aR,5aR,8aR,13aR,15aS,15bR)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinoline-14-one;sulfuric acid;heptahydrate
InChI Key	PPJIVFYMRNHHTJ-UMRIXEKQSA-N
Molecular Formula	C46H68N4O19S

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Thermo Scientific Chemicals N-Acetyl-D-glucosamine, 98+%

CAS: 7512-17-6 Molecular Formula: C8H15NO6 Molecular Weight (g/mol): 221.21 MDL Number: MFCD00061615 InChI Key: OVRNDRQMDRJTHS-WZWLWIOANA-N IUPAC Name: N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide SMILES: CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O

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Specifications

CAS	7512-17-6
Molecular Weight (g/mol)	221.21
MDL Number	MFCD00061615
SMILES	CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O
IUPAC Name	N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
InChI Key	OVRNDRQMDRJTHS-WZWLWIOANA-N
Molecular Formula	C8H15NO6

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Thermo Scientific Chemicals Tigecycline

CAS: 220620-09-7 Molecular Formula: C29H39N5O8 Molecular Weight (g/mol): 585.66 MDL Number: MFCD00935753 InChI Key: ZXGBRIBPJBHLMO-SBMFAFPZSA-N IUPAC Name: N-[(5aR,6aS,7S,9Z,10aS)-9-[amino(hydroxy)methylidene]-4,7-bis(dimethylamino)-1,10a,12-trihydroxy-8,10,11-trioxo-5,5a,6,6a,7,8,9,10,10a,11-decahydrotetracen-2-yl]-2-(tert-butylamino)acetamide SMILES: CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C=C(NC(=O)CNC(C)(C)C)C(O)=C4C(O)=C3C(=O)[C@]2(O)C(=O)\C(=C(\N)O)C1=O)N(C)C

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Specifications

CAS	220620-09-7
Molecular Weight (g/mol)	585.66
MDL Number	MFCD00935753
SMILES	CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C=C(NC(=O)CNC(C)(C)C)C(O)=C4C(O)=C3C(=O)[C@]2(O)C(=O)\C(=C(\N)O)C1=O)N(C)C
IUPAC Name	N-[(5aR,6aS,7S,9Z,10aS)-9-[amino(hydroxy)methylidene]-4,7-bis(dimethylamino)-1,10a,12-trihydroxy-8,10,11-trioxo-5,5a,6,6a,7,8,9,10,10a,11-decahydrotetracen-2-yl]-2-(tert-butylamino)acetamide
InChI Key	ZXGBRIBPJBHLMO-SBMFAFPZSA-N
Molecular Formula	C29H39N5O8

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Salicylaldazine, 99%

CAS: 959-36-4 Molecular Formula: C₁₄H₁₂N₂O₂ Molecular Weight (g/mol): 240.26 InChI Key: SPEXYYIULCBQJR-UHFFFAOYSA-N Synonym: salicylaldehyde azine,salicylalazine,salicylaldazine,benzaldehyde, 2-hydroxy-, 2-hydroxyphenyl methylene hydrazone,2-hydroxybenzaldehyde azine,2-1e-e-2-2-hydroxyphenyl methylidene hydrazin-1-ylidene methyl phenol,2,2'-1,2-hydrazinediylidenedi methylylidene diphenol,benzaldehyde, 2-hydroxy-, 2-2-hydroxyphenyl methylene hydrazone,1,2-bis e-salicylidene hydrazine,6-6-oxo-1-cyclohexa-2,4-dienylidene methylhydrazo methylidene-1-cyclohexa-2,4-dienone PubChem CID: 6849893 IUPAC Name: 6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]methylidene]cyclohexa-2,4-dien-1-one SMILES: C1=CC(=CNNC=C2C=CC=CC2=O)C(=O)C=C1

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Specifications

PubChem CID	6849893
CAS	959-36-4
Molecular Weight (g/mol)	240.26
SMILES	C1=CC(=CNNC=C2C=CC=CC2=O)C(=O)C=C1
Synonym	salicylaldehyde azine,salicylalazine,salicylaldazine,benzaldehyde, 2-hydroxy-, 2-hydroxyphenyl methylene hydrazone,2-hydroxybenzaldehyde azine,2-1e-e-2-2-hydroxyphenyl methylidene hydrazin-1-ylidene methyl phenol,2,2'-1,2-hydrazinediylidenedi methylylidene diphenol,benzaldehyde, 2-hydroxy-, 2-2-hydroxyphenyl methylene hydrazone,1,2-bis e-salicylidene hydrazine,6-6-oxo-1-cyclohexa-2,4-dienylidene methylhydrazo methylidene-1-cyclohexa-2,4-dienone
IUPAC Name	6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]methylidene]cyclohexa-2,4-dien-1-one
InChI Key	SPEXYYIULCBQJR-UHFFFAOYSA-N
Molecular Formula	C₁₄H₁₂N₂O₂

Cobalt(II) thiocyanate, 98+%

CAS: 3017-60-5 Molecular Formula: C2H2CoN2S2 Molecular Weight (g/mol): 177.105 MDL Number: MFCD00010937 InChI Key: IQHZUTZWNWRODJ-UHFFFAOYSA-N PubChem CID: 131877393 IUPAC Name: cobalt;thiocyanic acid SMILES: C(#N)S.C(#N)S.[Co]

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Specifications

PubChem CID	131877393
CAS	3017-60-5
Molecular Weight (g/mol)	177.105
MDL Number	MFCD00010937
SMILES	C(#N)S.C(#N)S.[Co]
IUPAC Name	cobalt;thiocyanic acid
InChI Key	IQHZUTZWNWRODJ-UHFFFAOYSA-N
Molecular Formula	C2H2CoN2S2

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Ferrocenecarboxylic acid, 97+%, Thermo Scientific Chemicals

CAS: 1271-42-7 Molecular Formula: C11H10FeO2 Molecular Weight (g/mol): 230.04 MDL Number: MFCD00001430 InChI Key: OUPWBVGTMCICLR-UHFFFAOYSA-N Synonym: Carboxyferrocene; (Carboxycyclopentadienyl)cyclopentadienyliron IUPAC Name: Ferrocenecarboxylic acid SMILES: [Fe].c1cccc1.OC(=O)c1cccc1

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Specifications

CAS	1271-42-7
Molecular Weight (g/mol)	230.04
MDL Number	MFCD00001430
SMILES	[Fe].c1cccc1.OC(=O)c1cccc1
Synonym	Carboxyferrocene; (Carboxycyclopentadienyl)cyclopentadienyliron
IUPAC Name	Ferrocenecarboxylic acid
InChI Key	OUPWBVGTMCICLR-UHFFFAOYSA-N
Molecular Formula	C11H10FeO2

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4-Hydroxy-TEMPO, free radical, 98+%

CAS: 2226-96-2 Molecular Formula: C₉H₁₈NO₂ MDL Number: MFCD00006478 Synonym: 4-Hydroxy-2,2,6,6-tetramethyl-1-piperidin-1-yloxy, free radical

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Specifications

CAS	2226-96-2
MDL Number	MFCD00006478
Synonym	4-Hydroxy-2,2,6,6-tetramethyl-1-piperidin-1-yloxy, free radical
Molecular Formula	C₉H₁₈NO₂

Folic acid, 95-102%

CAS: 59-30-3 Molecular Formula: C19H19N7O6 Molecular Weight (g/mol): 441.404 MDL Number: MFCD00079305 InChI Key: OVBPIULPVIDEAO-LBPRGKRZSA-N Synonym: folic acid,folate,pteroylglutamic acid,vitamin m,folacin,folacid,pteglu,vitamin b9,folvite,pteroyl-l-glutamic acid PubChem CID: 6037 ChEBI: CHEBI:27470 IUPAC Name: (2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid SMILES: C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

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Specifications

PubChem CID	6037
CAS	59-30-3
Molecular Weight (g/mol)	441.404
ChEBI	CHEBI:27470
MDL Number	MFCD00079305
SMILES	C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N
Synonym	folic acid,folate,pteroylglutamic acid,vitamin m,folacin,folacid,pteglu,vitamin b9,folvite,pteroyl-l-glutamic acid
IUPAC Name	(2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
InChI Key	OVBPIULPVIDEAO-LBPRGKRZSA-N
Molecular Formula	C19H19N7O6

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L-Citrulline, 98%

CAS: 372-75-8 Molecular Formula: C6H13N3O3 Molecular Weight (g/mol): 175.19 MDL Number: MFCD00064397 InChI Key: RHGKLRLOHDJJDR-UHFFFAOYNA-N Synonym: l-citrulline,citrulline,h-cit-oh,delta-ureidonorvaline,sitrulline,n5-carbamoyl-l-ornithine,l-cytrulline,n5-aminocarbonyl ornithine,n delta-carbamylornithine,citrulline, l PubChem CID: 9750 ChEBI: CHEBI:16349 IUPAC Name: (2S)-2-amino-5-(carbamoylamino)pentanoic acid SMILES: NC(CCCNC(N)=O)C(O)=O

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Specifications

PubChem CID	9750
CAS	372-75-8
Molecular Weight (g/mol)	175.19
ChEBI	CHEBI:16349
MDL Number	MFCD00064397
SMILES	NC(CCCNC(N)=O)C(O)=O
Synonym	l-citrulline,citrulline,h-cit-oh,delta-ureidonorvaline,sitrulline,n5-carbamoyl-l-ornithine,l-cytrulline,n5-aminocarbonyl ornithine,n delta-carbamylornithine,citrulline, l
IUPAC Name	(2S)-2-amino-5-(carbamoylamino)pentanoic acid
InChI Key	RHGKLRLOHDJJDR-UHFFFAOYNA-N
Molecular Formula	C6H13N3O3

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N-Lauroylsarcosine sodium salt, 95%

CAS: 137-16-6 Molecular Formula: C15H28NNaO3 Molecular Weight (g/mol): 293.38 MDL Number: MFCD00042728 InChI Key: KSAVQLQVUXSOCR-UHFFFAOYSA-M Synonym: sarkosyl nl,sodium lauroyl sarcosinate,n-lauroylsarcosine sodium salt,sodium n-lauroylsarcosinate,sodium lauroylsarcosinate,sarcosyl nl,maprosyl 30,compound 105,gardol,hamposyl l-30 PubChem CID: 23668817 IUPAC Name: sodium;2-[dodecanoyl(methyl)amino]acetate SMILES: [Na+].CCCCCCCCCCCC(=O)N(C)CC([O-])=O

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Specifications

PubChem CID	23668817
CAS	137-16-6
Molecular Weight (g/mol)	293.38
MDL Number	MFCD00042728
SMILES	[Na+].CCCCCCCCCCCC(=O)N(C)CC([O-])=O
Synonym	sarkosyl nl,sodium lauroyl sarcosinate,n-lauroylsarcosine sodium salt,sodium n-lauroylsarcosinate,sodium lauroylsarcosinate,sarcosyl nl,maprosyl 30,compound 105,gardol,hamposyl l-30
IUPAC Name	sodium;2-[dodecanoyl(methyl)amino]acetate
InChI Key	KSAVQLQVUXSOCR-UHFFFAOYSA-M
Molecular Formula	C15H28NNaO3

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