Unclassified Organic Compounds

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

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331 – 345 of 208,875 results

331

CAS	8002-31-1
Synonym	Cacao Oil,Cocao bean oil,Cocoa absolute,Cocoa bean extract

CAS: 14024-18-1 Molecular Formula: C15H21FeO6 Molecular Weight (g/mol): 353.17 MDL Number: MFCD00000020 InChI Key: AQBLLJNPHDIAPN-LNTINUHCSA-K Synonym: Iron(III) acetylacetonate; Tris(acetylacetonato)iron(III) IUPAC Name: iron(3+) tris((2Z)-4-oxopent-2-en-2-olate) SMILES: [Fe+3].C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O

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CAS	14024-18-1
Molecular Weight (g/mol)	353.17
MDL Number	MFCD00000020
SMILES	[Fe+3].C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O
Synonym	Iron(III) acetylacetonate; Tris(acetylacetonato)iron(III)
IUPAC Name	iron(3+) tris((2Z)-4-oxopent-2-en-2-olate)
InChI Key	AQBLLJNPHDIAPN-LNTINUHCSA-K
Molecular Formula	C15H21FeO6

333

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DL-2-Aminobutyric acid, 99%

CAS: 2835-81-6 Molecular Formula: C4H9NO2 Molecular Weight (g/mol): 103.121 MDL Number: MFCD00008093 InChI Key: QWCKQJZIFLGMSD-UHFFFAOYSA-N Synonym: dl-2-aminobutyric acid,2-aminobutyric acid,alpha-aminobutyric acid,butanoic acid, 2-amino,butyrine,dl-2-amino-n-butyric acid,h-dl-abu-oh,aaba,dl-alpha-amino-n-butyric acid,alpha-amino-n-butyric acid PubChem CID: 6657 ChEBI: CHEBI:35621 IUPAC Name: 2-aminobutanoic acid SMILES: CCC(C(=O)O)N

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PubChem CID	6657
CAS	2835-81-6
Molecular Weight (g/mol)	103.121
ChEBI	CHEBI:35621
MDL Number	MFCD00008093
SMILES	CCC(C(=O)O)N
Synonym	dl-2-aminobutyric acid,2-aminobutyric acid,alpha-aminobutyric acid,butanoic acid, 2-amino,butyrine,dl-2-amino-n-butyric acid,h-dl-abu-oh,aaba,dl-alpha-amino-n-butyric acid,alpha-amino-n-butyric acid
IUPAC Name	2-aminobutanoic acid
InChI Key	QWCKQJZIFLGMSD-UHFFFAOYSA-N
Molecular Formula	C4H9NO2

334

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Thermo Scientific Chemicals Rosuvastatin, sodium salt, 97%

CAS: 147098-18-8 Molecular Formula: C₂₂H₂₇FN₃NaO₆S Molecular Weight (g/mol): 503.53 InChI Key: RGEBGDYYHAFODH-GBNZRNLASA-M Synonym: rosuvastatin sodium PubChem CID: 131632367 IUPAC Name: sodium;(3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate SMILES: CC(C)C1=NC(=NC(=C1C=CC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C.[Na+]

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PubChem CID	131632367
CAS	147098-18-8
Molecular Weight (g/mol)	503.53
SMILES	CC(C)C1=NC(=NC(=C1C=CC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C.[Na+]
Synonym	rosuvastatin sodium
IUPAC Name	sodium;(3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate
InChI Key	RGEBGDYYHAFODH-GBNZRNLASA-M
Molecular Formula	C₂₂H₂₇FN₃NaO₆S

335

Diosgenin

CAS: 512-04-9 Molecular Formula: C27H42O3 Molecular Weight (g/mol): 414.63 MDL Number: MFCD00016887,MFCD01002142 InChI Key: WQLVFSAGQJTQCK-VKROHFNGSA-N Synonym: 3-beta-Hydroxy-5-spirostene; Nitogenin PubChem CID: 46783391 IUPAC Name: (1'S,2R,2'S,4'S,5R,7'S,8'R,9'S,12'S,13'R,16'S)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-16'-ol SMILES: C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]11CC[C@@H](C)CO1

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PubChem CID	46783391
CAS	512-04-9
Molecular Weight (g/mol)	414.63
MDL Number	MFCD00016887,MFCD01002142
SMILES	C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]11CC[C@@H](C)CO1
Synonym	3-beta-Hydroxy-5-spirostene; Nitogenin
IUPAC Name	(1'S,2R,2'S,4'S,5R,7'S,8'R,9'S,12'S,13'R,16'S)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-16'-ol
InChI Key	WQLVFSAGQJTQCK-VKROHFNGSA-N
Molecular Formula	C27H42O3

336

Thermo Scientific Chemicals Betamethasone valerate

CAS: 2152-44-5 Molecular Formula: C27H37FO6 Molecular Weight (g/mol): 476.59 InChI Key: SNHRLVCMMWUAJD-SUYDQAKGSA-N IUPAC Name: (1R,2S,3aS,3bS,9aS,9bR,10S,11aS)-9b-fluoro-10-hydroxy-1-(2-hydroxyacetyl)-2,9a,11a-trimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl pentanoate SMILES: CCCCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CO

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CAS	2152-44-5
Molecular Weight (g/mol)	476.59
SMILES	CCCCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CO
IUPAC Name	(1R,2S,3aS,3bS,9aS,9bR,10S,11aS)-9b-fluoro-10-hydroxy-1-(2-hydroxyacetyl)-2,9a,11a-trimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl pentanoate
InChI Key	SNHRLVCMMWUAJD-SUYDQAKGSA-N
Molecular Formula	C27H37FO6

337

Caffeine Citrate, MP Biomedicals™

CAS: 69-22-7 Molecular Formula: C14H18N4O9 Molecular Weight (g/mol): 386.32 MDL Number: MFCD00044986 InChI Key: RCQXSQPPHJPGOF-UHFFFAOYSA-N Synonym: Citrated caffeine,Caffeine,Citrated,Caffeina citrate PubChem CID: 6241 IUPAC Name: 1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione; 2-hydroxypropane-1,2,3-tricarboxylic acid SMILES: OC(=O)CC(O)(CC(O)=O)C(O)=O.CN1C=NC2=C1C(=O)N(C)C(=O)N2C

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PubChem CID	6241
CAS	69-22-7
Molecular Weight (g/mol)	386.32
MDL Number	MFCD00044986
SMILES	OC(=O)CC(O)(CC(O)=O)C(O)=O.CN1C=NC2=C1C(=O)N(C)C(=O)N2C
Synonym	Citrated caffeine,Caffeine,Citrated,Caffeina citrate
IUPAC Name	1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione; 2-hydroxypropane-1,2,3-tricarboxylic acid
InChI Key	RCQXSQPPHJPGOF-UHFFFAOYSA-N
Molecular Formula	C14H18N4O9

338

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Bis(cyclopentadienyl)zirconium dichloride, 98+%

CAS: 1291-32-3 Molecular Formula: C₁₀H₁₀Cl₂Zr Molecular Weight (g/mol): 292.32 MDL Number: MFCD00003726 Synonym: Zirconocene dichloride

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CAS	1291-32-3
Molecular Weight (g/mol)	292.32
MDL Number	MFCD00003726
Synonym	Zirconocene dichloride
Molecular Formula	C₁₀H₁₀Cl₂Zr

339

Brefeldin A, 98%

CAS: 20350-15-6 Molecular Formula: C16H24O4 Molecular Weight (g/mol): 280.36 MDL Number: MFCD00083258,MFCD12913297 InChI Key: KQNZDYYTLMIZCT-PNFJWZTBSA-N Synonym: brefeldin a,cyanein,decumbin,bfa PubChem CID: 133640201 SMILES: C[C@H]1CCC\C=C\[C@@H]2C[C@H](O)C[C@H]2[C@@H](O)\C=C\C(=O)O1

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PubChem CID	133640201
CAS	20350-15-6
Molecular Weight (g/mol)	280.36
MDL Number	MFCD00083258,MFCD12913297
SMILES	C[C@H]1CCC\C=C\[C@@H]2C[C@H](O)C[C@H]2[C@@H](O)\C=C\C(=O)O1
Synonym	brefeldin a,cyanein,decumbin,bfa
InChI Key	KQNZDYYTLMIZCT-PNFJWZTBSA-N
Molecular Formula	C16H24O4

340

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DL-Isoborneol, 93%, tech.

CAS: 124-76-5 Molecular Formula: C₁₀H₁₈O Molecular Weight (g/mol): 154.25 MDL Number: MFCD00074821 InChI Key: DTGKSKDOIYIVQL-SZBHIRRCSA-N Synonym: dl-isoborneol PubChem CID: 126961757 IUPAC Name: (1R,3R)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol SMILES: CC1(C2CCC1(C(C2)O)C)C

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PubChem CID	126961757
CAS	124-76-5
Molecular Weight (g/mol)	154.25
MDL Number	MFCD00074821
SMILES	CC1(C2CCC1(C(C2)O)C)C
Synonym	dl-isoborneol
IUPAC Name	(1R,3R)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol
InChI Key	DTGKSKDOIYIVQL-SZBHIRRCSA-N
Molecular Formula	C₁₀H₁₈O

341

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L-Cysteic acid, 99%

CAS: 498-40-8 Molecular Formula: C3H7NO5S Molecular Weight (g/mol): 169.15 MDL Number: MFCD00007524 InChI Key: XVOYSCVBGLVSOL-UHFFFAOYNA-N Synonym: l-cysteic acid,cysteinesulfonic acid,l-alanine, 3-sulfo,3-sulfo-l-alanine,cysteic acid, l,r-2-amino-3-sulfopropanoic acid,cysteic acid van,l-cysteate,cysteinic acid,cysteric acid PubChem CID: 72886 ChEBI: CHEBI:17285 SMILES: NC(CS(O)(=O)=O)C(O)=O

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PubChem CID	72886
CAS	498-40-8
Molecular Weight (g/mol)	169.15
ChEBI	CHEBI:17285
MDL Number	MFCD00007524
SMILES	NC(CS(O)(=O)=O)C(O)=O
Synonym	l-cysteic acid,cysteinesulfonic acid,l-alanine, 3-sulfo,3-sulfo-l-alanine,cysteic acid, l,r-2-amino-3-sulfopropanoic acid,cysteic acid van,l-cysteate,cysteinic acid,cysteric acid
InChI Key	XVOYSCVBGLVSOL-UHFFFAOYNA-N
Molecular Formula	C3H7NO5S

342

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Thermo Scientific Chemicals Dasatinib monohydrate

CAS: 863127-77-9 Molecular Formula: C₂₂H₂₆ClN₇O₂S·H₂O Molecular Weight (g/mol): 506.02 InChI Key: XHXFZZNHDVTMLI-UHFFFAOYSA-N PubChem CID: 11540687 ChEBI: CHEBI:70839

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PubChem CID	11540687
CAS	863127-77-9
Molecular Weight (g/mol)	506.02
ChEBI	CHEBI:70839
InChI Key	XHXFZZNHDVTMLI-UHFFFAOYSA-N
Molecular Formula	C₂₂H₂₆ClN₇O₂S·H₂O

343

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L-Cysteic acid monohydrate, 99%, Thermo Scientific Chemicals

CAS: 23537-25-9 Molecular Formula: C3H6NO5S Molecular Weight (g/mol): 168.14 MDL Number: MFCD00149544 InChI Key: XVOYSCVBGLVSOL-REOHCLBHSA-M Synonym: l-cysteic acid monohydrate,unii-vn8x20t18r,cysteic acid monohydrate, l,r-2-amino-3-sulfopropanoic acid hydrate,l-alanine, 3-sulfo-, monohydrate,cysteinesulfonic acid hydrate,h-cys o 2-oh.h2o,l-cysteic acid hydrate,l-cysteic acid monohydrate mi,alanine, 3-sulfo-, monohydrate, l PubChem CID: 12308854 IUPAC Name: (2R)-2-amino-3-sulfopropanoic acid;hydrate SMILES: [NH3+][C@@H](CS([O-])(=O)=O)C([O-])=O

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PubChem CID	12308854
CAS	23537-25-9
Molecular Weight (g/mol)	168.14
MDL Number	MFCD00149544
SMILES	[NH3+][C@@H](CS([O-])(=O)=O)C([O-])=O
Synonym	l-cysteic acid monohydrate,unii-vn8x20t18r,cysteic acid monohydrate, l,r-2-amino-3-sulfopropanoic acid hydrate,l-alanine, 3-sulfo-, monohydrate,cysteinesulfonic acid hydrate,h-cys o 2-oh.h2o,l-cysteic acid hydrate,l-cysteic acid monohydrate mi,alanine, 3-sulfo-, monohydrate, l
IUPAC Name	(2R)-2-amino-3-sulfopropanoic acid;hydrate
InChI Key	XVOYSCVBGLVSOL-REOHCLBHSA-M
Molecular Formula	C3H6NO5S

344

Potassium Rhodizonate 95.0+%, TCI America™

CAS: 13021-40-4 Molecular Formula: C6H2KO6 Molecular Weight (g/mol): 209.17 MDL Number: MFCD00001649 InChI Key: UGFHFZSZCJFOTO-UHFFFAOYSA-N Synonym: potassium rhodizonate,rhodizonic acid dipotassium salt,dipotassium rhodizonate,5-cyclohexene-1,2,3,4-tetrone, 5,6-dihydroxy-, dipotassium salt,potassium 3,4,5,6-tetraoxocyclohex-1-ene-1,2-bis olate,5-cyclohexene-1,2,3,4-tetrone, 5,6-dihydroxy-, potassium salt 1:2,dipotassium 3,4,5,6-tetraoxocyclohexene-1,2-diolate,kaliumrhodizonat,dipotassium tetraoxocyclohex-1-ene-1,2-bis olate,potassium rhodizonate, technical grade PubChem CID: 83051 IUPAC Name: dihydroxycyclohex-5-ene-1,2,3,4-tetrone potassium SMILES: [K].OC1=C(O)C(=O)C(=O)C(=O)C1=O

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PubChem CID	83051
CAS	13021-40-4
Molecular Weight (g/mol)	209.17
MDL Number	MFCD00001649
SMILES	[K].OC1=C(O)C(=O)C(=O)C(=O)C1=O
Synonym	potassium rhodizonate,rhodizonic acid dipotassium salt,dipotassium rhodizonate,5-cyclohexene-1,2,3,4-tetrone, 5,6-dihydroxy-, dipotassium salt,potassium 3,4,5,6-tetraoxocyclohex-1-ene-1,2-bis olate,5-cyclohexene-1,2,3,4-tetrone, 5,6-dihydroxy-, potassium salt 1:2,dipotassium 3,4,5,6-tetraoxocyclohexene-1,2-diolate,kaliumrhodizonat,dipotassium tetraoxocyclohex-1-ene-1,2-bis olate,potassium rhodizonate, technical grade
IUPAC Name	dihydroxycyclohex-5-ene-1,2,3,4-tetrone potassium
InChI Key	UGFHFZSZCJFOTO-UHFFFAOYSA-N
Molecular Formula	C6H2KO6

345

Copper(II) Tetrafluoroborate (ca. 45% in Water), TCI America™

CAS: 38465-60-0 Molecular Formula: B2CuF8 Molecular Weight (g/mol): 237.15 MDL Number: MFCD00016054 InChI Key: HMUNZEYTSRPVBE-UHFFFAOYSA-N Synonym: copper fluoroborate,copper fluoborate,copper ii tetrafluoroborate,copper ditetrafluoroborate,cupric tetrafluoroborate hydrate,copper ii tetrafluoroborate in h2o,cupric fluoborate,copper ii fluoborate,copper 2+ ditetrafluoroborate,copper 2+ tetrafluoroborate 1- PubChem CID: 170058 IUPAC Name: copper(2+) bis(tetrafluoroboranuide) SMILES: [Cu++].F[B-](F)(F)F.F[B-](F)(F)F

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PubChem CID	170058
CAS	38465-60-0
Molecular Weight (g/mol)	237.15
MDL Number	MFCD00016054
SMILES	[Cu++].F[B-](F)(F)F.F[B-](F)(F)F
Synonym	copper fluoroborate,copper fluoborate,copper ii tetrafluoroborate,copper ditetrafluoroborate,cupric tetrafluoroborate hydrate,copper ii tetrafluoroborate in h2o,cupric fluoborate,copper ii fluoborate,copper 2+ ditetrafluoroborate,copper 2+ tetrafluoroborate 1-
IUPAC Name	copper(2+) bis(tetrafluoroboranuide)
InChI Key	HMUNZEYTSRPVBE-UHFFFAOYSA-N
Molecular Formula	B2CuF8

Unclassified Organic Compounds

Cocoa Butter, MP Biomedicals™

Iron(III) 2,4-pentanedionate

DL-2-Aminobutyric acid, 99%

Thermo Scientific Chemicals Rosuvastatin, sodium salt, 97%

Diosgenin

Thermo Scientific Chemicals Betamethasone valerate

Caffeine Citrate, MP Biomedicals™

Bis(cyclopentadienyl)zirconium dichloride, 98+%

Brefeldin A, 98%

DL-Isoborneol, 93%, tech.

L-Cysteic acid, 99%

Thermo Scientific Chemicals Dasatinib monohydrate

L-Cysteic acid monohydrate, 99%, Thermo Scientific Chemicals

Potassium Rhodizonate 95.0+%, TCI America™

Copper(II) Tetrafluoroborate (ca. 45% in Water), TCI America™

Unclassified Organic Compounds

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