Unclassified Organic Compounds

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

331 – 345 of 176,901 results

331

Thermo Scientific Chemicals Daptomycin

CAS: 103060-53-3 Molecular Formula: C₇₂H₁₀₁N₁₇O₂₆ Molecular Weight (g/mol): 1620.67 InChI Key: DOAKLVKFURWEDJ-AVSAZHKKSA-N Synonym: daptomycin PubChem CID: 133640189 SMILES: CCCCCCCCCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC3C(OC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC3=O)CCCN)CC(=O)O)C)CC(=O)O)CO)C(C)CC(=O)O)CC(=O)C4=CC=CC=C4N)C

Pricing & Availability
Specifications

PubChem CID	133640189
CAS	103060-53-3
Molecular Weight (g/mol)	1620.67
SMILES	CCCCCCCCCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC3C(OC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC3=O)CCCN)CC(=O)O)C)CC(=O)O)CO)C(C)CC(=O)O)CC(=O)C4=CC=CC=C4N)C
Synonym	daptomycin
InChI Key	DOAKLVKFURWEDJ-AVSAZHKKSA-N
Molecular Formula	C₇₂H₁₀₁N₁₇O₂₆

332

Esculin sesquihydrate, 97%

CAS: 66778-17-4 Molecular Formula: C30H38O21 Molecular Weight (g/mol): 734.613 MDL Number: MFCD00149492 InChI Key: LGMHQDJZWHRZPO-HPPUHPNBSA-N Synonym: esculin sesquihydrate PubChem CID: 131675424 IUPAC Name: 7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one;trihydrate SMILES: C1=CC(=O)OC2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O.C1=CC(=O)OC2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O.O.O.O

Pricing & Availability
Specifications

PubChem CID	131675424
CAS	66778-17-4
Molecular Weight (g/mol)	734.613
MDL Number	MFCD00149492
SMILES	C1=CC(=O)OC2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O.C1=CC(=O)OC2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O.O.O.O
Synonym	esculin sesquihydrate
IUPAC Name	7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one;trihydrate
InChI Key	LGMHQDJZWHRZPO-HPPUHPNBSA-N
Molecular Formula	C30H38O21

333

Thermo Scientific Chemicals DL-Phenylalanine, 99%

CAS: 150-30-1 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.19 MDL Number: MFCD00064225 InChI Key: COLNVLDHVKWLRT-UHFFFAOYNA-N Synonym: dl-phenylalanine,phenylalanine,h-dl-phe-oh,dl-3-phenylalanine,phenylalanin,dlpa,dl-2-amino-3-phenylpropanoic acid,alanine, phenyl-, dl,2-amino-3-phenylpropionic acid,phenylalanine, dl PubChem CID: 994 ChEBI: CHEBI:28044 IUPAC Name: 2-amino-3-phenylpropanoic acid SMILES: NC(CC1=CC=CC=C1)C(O)=O

Pricing & Availability
Specifications

PubChem CID	994
CAS	150-30-1
Molecular Weight (g/mol)	165.19
ChEBI	CHEBI:28044
MDL Number	MFCD00064225
SMILES	NC(CC1=CC=CC=C1)C(O)=O
Synonym	dl-phenylalanine,phenylalanine,h-dl-phe-oh,dl-3-phenylalanine,phenylalanin,dlpa,dl-2-amino-3-phenylpropanoic acid,alanine, phenyl-, dl,2-amino-3-phenylpropionic acid,phenylalanine, dl
IUPAC Name	2-amino-3-phenylpropanoic acid
InChI Key	COLNVLDHVKWLRT-UHFFFAOYNA-N
Molecular Formula	C9H11NO2

334

Thermo Scientific Chemicals D-Turanose, 98%

CAS: 547-25-1 Molecular Formula: C12H22O11 Molecular Weight (g/mol): 342.30 MDL Number: MFCD00006606 InChI Key: RULSWEULPANCDV-UHFFFAOYNA-N Synonym: d +-turanose PubChem CID: 131632488 IUPAC Name: (3S,4S,5R)-2-(hydroxymethyl)-3-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,4,5-triol SMILES: OCC(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(=O)CO

Pricing & Availability
Specifications

PubChem CID	131632488
CAS	547-25-1
Molecular Weight (g/mol)	342.30
MDL Number	MFCD00006606
SMILES	OCC(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(=O)CO
Synonym	d +-turanose
IUPAC Name	(3S,4S,5R)-2-(hydroxymethyl)-3-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,4,5-triol
InChI Key	RULSWEULPANCDV-UHFFFAOYNA-N
Molecular Formula	C12H22O11

335

Thermo Scientific Chemicals beta-Apo-oxytetracycline, 'can be used as secondary standard'

CAS: 18751-99-0 Molecular Formula: C₂₂H₂₂N₂O₈ Molecular Weight (g/mol): 442.39 MDL Number: MFCD00062827 InChI Key: DRKMHDAKULCOKQ-UHFFFAOYSA-N Synonym: beta-apo-oxytetracycline,alpha-apo-oxytetracycline,alpha-apooxytetracycline,alpha-apoterramycin,beta-apo oxytetracycline,2z-2-amino hydroxy methylidene-5-4,5-dihydroxy-9-methyl-3-oxo-1h-benzo f 2 benzofuran-1-yl-4-dimethylamino-6-hydroxycyclohexane-1,3-dione,4-1,3-dihydro-4,5-dihydroxy-9-methyl-3-oxonaphtho 2,3-c furan-1-yl-3-dimethylamino-2,5-dihydroxy-6-oxo-1-cyclohexene-1-carboxamide,4-4,5-dihydroxy-9-methyl-3-oxo-1,3-dihydronaphtho 2,3-c furan-1-yl-3-dimethylamino-2,5-dihydroxy-6-oxocyclohex-1-ene-1-carboxamide,4-4,5-dihydroxy-9-methyl-3-oxohydrobenzo f isobenzofuranyl-3-dimethylamino-2,5-dihydroxy-6-oxocyclohex-1-enecarboxamide,4-4,5-dihydroxy-9-methyl-3-oxo-1h-naphtho 2,3-c furan-1-yl-3-dimethylamino-2,5-dihydroxy-6-oxocyclohex-1-ene-1-carboxamide PubChem CID: 54710410 IUPAC Name: 4-(4,5-dihydroxy-9-methyl-3-oxo-1H-benzo[f][2]benzofuran-1-yl)-3-(dimethylamino)-2,5-dihydroxy-6-oxocyclohexene-1-carboxamide SMILES: CC1=C2C(OC(=O)C2=C(C3=C1C=CC=C3O)O)C4C(C(=C(C(=O)C4O)C(=O)N)O)N(C)C

Pricing & Availability
Specifications

PubChem CID	54710410
CAS	18751-99-0
Molecular Weight (g/mol)	442.39
MDL Number	MFCD00062827
SMILES	CC1=C2C(OC(=O)C2=C(C3=C1C=CC=C3O)O)C4C(C(=C(C(=O)C4O)C(=O)N)O)N(C)C
Synonym	beta-apo-oxytetracycline,alpha-apo-oxytetracycline,alpha-apooxytetracycline,alpha-apoterramycin,beta-apo oxytetracycline,2z-2-amino hydroxy methylidene-5-4,5-dihydroxy-9-methyl-3-oxo-1h-benzo f 2 benzofuran-1-yl-4-dimethylamino-6-hydroxycyclohexane-1,3-dione,4-1,3-dihydro-4,5-dihydroxy-9-methyl-3-oxonaphtho 2,3-c furan-1-yl-3-dimethylamino-2,5-dihydroxy-6-oxo-1-cyclohexene-1-carboxamide,4-4,5-dihydroxy-9-methyl-3-oxo-1,3-dihydronaphtho 2,3-c furan-1-yl-3-dimethylamino-2,5-dihydroxy-6-oxocyclohex-1-ene-1-carboxamide,4-4,5-dihydroxy-9-methyl-3-oxohydrobenzo f isobenzofuranyl-3-dimethylamino-2,5-dihydroxy-6-oxocyclohex-1-enecarboxamide,4-4,5-dihydroxy-9-methyl-3-oxo-1h-naphtho 2,3-c furan-1-yl-3-dimethylamino-2,5-dihydroxy-6-oxocyclohex-1-ene-1-carboxamide
IUPAC Name	4-(4,5-dihydroxy-9-methyl-3-oxo-1H-benzo[f][2]benzofuran-1-yl)-3-(dimethylamino)-2,5-dihydroxy-6-oxocyclohexene-1-carboxamide
InChI Key	DRKMHDAKULCOKQ-UHFFFAOYSA-N
Molecular Formula	C₂₂H₂₂N₂O₈

336

Boron trifluoride - acetic acid complex, ca. 33% BF3

CAS: 373-61-5 Molecular Formula: C4H8BF3O4 Molecular Weight (g/mol): 187.91 MDL Number: MFCD00036359 InChI Key: OVYKFNOIPQYMRU-UHFFFAOYSA-K Synonym: boron trifluoride acetic acid complex,bf3.c4h8o4,acetic acid-boron trifluoride complex,acetic acid boron trifluoride 2:1,bis acetic acid ; boron trifluoride,boron trifluoride acetic acid complex, technical bf3 basis,borate 1-, bis acetato-o difluoro-, dihydrogen fluoride, beta-4,borate 1-, bis acetato-.kappa.o difluoro-, hydrogen fluoride 1:2:1 , t-4 PubChem CID: 11116786 IUPAC Name: acetic acid;trifluoroborane SMILES: [H+].[H+].[B+3].[F-].[F-].[F-].CC([O-])=O.CC([O-])=O

Pricing & Availability
Specifications

PubChem CID	11116786
CAS	373-61-5
Molecular Weight (g/mol)	187.91
MDL Number	MFCD00036359
SMILES	[H+].[H+].[B+3].[F-].[F-].[F-].CC([O-])=O.CC([O-])=O
Synonym	boron trifluoride acetic acid complex,bf3.c4h8o4,acetic acid-boron trifluoride complex,acetic acid boron trifluoride 2:1,bis acetic acid ; boron trifluoride,boron trifluoride acetic acid complex, technical bf3 basis,borate 1-, bis acetato-o difluoro-, dihydrogen fluoride, beta-4,borate 1-, bis acetato-.kappa.o difluoro-, hydrogen fluoride 1:2:1 , t-4
IUPAC Name	acetic acid;trifluoroborane
InChI Key	OVYKFNOIPQYMRU-UHFFFAOYSA-K
Molecular Formula	C4H8BF3O4

337

Thermo Scientific™ n-Dodecane, 99%

Pricing & Availability

338

1,1,1-Trichloro-2-methyl-2-propanol hemihydrate, 98%

CAS: 6001-64-5 Molecular Formula: ₀·5 H₂O Molecular Weight (g/mol): 186.47 MDL Number: MFCD02179352 InChI Key: HBARVHNVVKZUGS-UHFFFAOYSA-N Synonym: c4h7cl3o.1/2h2o,1,1,1-trichloro-2-methyl-2-propanol hemihydrate,chlorobutanol hydrogen ion hydrate PubChem CID: 102594540 IUPAC Name: molecular hydrogen;1,1,1-trichloro-2-methylpropan-2-ol;hydrate SMILES: [HH].CC(C)(C(Cl)(Cl)Cl)O.O

Pricing & Availability
Specifications

PubChem CID	102594540
CAS	6001-64-5
Molecular Weight (g/mol)	186.47
MDL Number	MFCD02179352
SMILES	[HH].CC(C)(C(Cl)(Cl)Cl)O.O
Synonym	c4h7cl3o.1/2h2o,1,1,1-trichloro-2-methyl-2-propanol hemihydrate,chlorobutanol hydrogen ion hydrate
IUPAC Name	molecular hydrogen;1,1,1-trichloro-2-methylpropan-2-ol;hydrate
InChI Key	HBARVHNVVKZUGS-UHFFFAOYSA-N
Molecular Formula	₀·5 H₂O

339

Thermo Scientific™ Phenylphosphonic dichloride, 97%

CAS: 824-72-6 Molecular Formula: C6H5Cl2OP Molecular Weight (g/mol): 194.98 MDL Number: MFCD00002070 InChI Key: IBDMRHDXAQZJAP-UHFFFAOYSA-N Synonym: P,P-Dichlorophenylphosphine oxide; IUPAC Name: phenylphosphonoyl dichloride SMILES: ClP(Cl)(=O)C1=CC=CC=C1

Pricing & Availability
Specifications

CAS	824-72-6
Molecular Weight (g/mol)	194.98
MDL Number	MFCD00002070
SMILES	ClP(Cl)(=O)C1=CC=CC=C1
Synonym	P,P-Dichlorophenylphosphine oxide;
IUPAC Name	phenylphosphonoyl dichloride
InChI Key	IBDMRHDXAQZJAP-UHFFFAOYSA-N
Molecular Formula	C6H5Cl2OP

340

L-2-Aminoadipic acid, 98%

CAS: 1118-90-7 Molecular Formula: C6H11NO4 Molecular Weight (g/mol): 161.16 MDL Number: MFCD00002636 InChI Key: OYIFNHCXNCRBQI-BYPYZUCNSA-N Synonym: l-2-aminoadipic acid,s-2-aminohexanedioic acid,2s-2-aminohexanedioic acid,l-alpha-aminoadipic acid,l-alpha-aminoadipate,l-2-amino adipic acid,l-homoglutamic acid,aminoadipate,l-2-aminoadipate,homoglutamic acid PubChem CID: 92136 ChEBI: CHEBI:37023 IUPAC Name: (2S)-2-aminohexanedioic acid SMILES: N[C@@H](CCCC(O)=O)C(O)=O

Pricing & Availability
Specifications

PubChem CID	92136
CAS	1118-90-7
Molecular Weight (g/mol)	161.16
ChEBI	CHEBI:37023
MDL Number	MFCD00002636
SMILES	N[C@@H](CCCC(O)=O)C(O)=O
Synonym	l-2-aminoadipic acid,s-2-aminohexanedioic acid,2s-2-aminohexanedioic acid,l-alpha-aminoadipic acid,l-alpha-aminoadipate,l-2-amino adipic acid,l-homoglutamic acid,aminoadipate,l-2-aminoadipate,homoglutamic acid
IUPAC Name	(2S)-2-aminohexanedioic acid
InChI Key	OYIFNHCXNCRBQI-BYPYZUCNSA-N
Molecular Formula	C6H11NO4

341

Thermo Scientific Chemicals Chlorophenol Red sodium salt

CAS: 123333-64-2 Molecular Formula: C19H11Cl2O5S Molecular Weight (g/mol): 422.25 MDL Number: MFCD00151199 InChI Key: QXTPRQZMDKBTAI-UNOMPAQXSA-M Synonym: chlorphenol red sodium salt PubChem CID: 131846007 IUPAC Name: 2-chloro-4-[3-(3-chloro-4-hydroxyphenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]phenol;sodium SMILES: OC1=CC=C(C=C1Cl)C(=C1/C=CC(=O)C(Cl)=C1)\C1=CC=CC=C1S([O-])(=O)=O

Pricing & Availability
Specifications

PubChem CID	131846007
CAS	123333-64-2
Molecular Weight (g/mol)	422.25
MDL Number	MFCD00151199
SMILES	OC1=CC=C(C=C1Cl)C(=C1/C=CC(=O)C(Cl)=C1)\C1=CC=CC=C1S([O-])(=O)=O
Synonym	chlorphenol red sodium salt
IUPAC Name	2-chloro-4-[3-(3-chloro-4-hydroxyphenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]phenol;sodium
InChI Key	QXTPRQZMDKBTAI-UNOMPAQXSA-M
Molecular Formula	C19H11Cl2O5S

342

Bis(1,5-cyclooctadiene)nickel(0), 96%

CAS: 1295-35-8 Molecular Formula: C16H24Ni Molecular Weight (g/mol): 275.06 MDL Number: MFCD00058902 InChI Key: JRTIUDXYIUKIIE-KZUMESAESA-N Synonym: bis 1,5-cyclooctadiene nickel 0,bis 1,5-cyclooctadiene nickel,ni cod 2,ccris 5973,bis cyclooctadiene nickel 0,nickel, bis 1,5-cyclooctadiene,bis cyclooctadiene nickel,1z,5z-cycloocta-1,5-diene; nickel,nickel biscod,pubchem16018 PubChem CID: 6433264 IUPAC Name: (1Z,5Z)-cycloocta-1,5-diene;nickel SMILES: [Ni].C1C\C=C/CC\C=C/1.C1C\C=C/CC\C=C/1

Pricing & Availability
Specifications

PubChem CID	6433264
CAS	1295-35-8
Molecular Weight (g/mol)	275.06
MDL Number	MFCD00058902
SMILES	[Ni].C1C\C=C/CC\C=C/1.C1C\C=C/CC\C=C/1
Synonym	bis 1,5-cyclooctadiene nickel 0,bis 1,5-cyclooctadiene nickel,ni cod 2,ccris 5973,bis cyclooctadiene nickel 0,nickel, bis 1,5-cyclooctadiene,bis cyclooctadiene nickel,1z,5z-cycloocta-1,5-diene; nickel,nickel biscod,pubchem16018
IUPAC Name	(1Z,5Z)-cycloocta-1,5-diene;nickel
InChI Key	JRTIUDXYIUKIIE-KZUMESAESA-N
Molecular Formula	C16H24Ni

343

Thermo Scientific Chemicals Colchicine, 97%

CAS: 64-86-8 Molecular Formula: C22H25NO6 Molecular Weight (g/mol): 399.44 MDL Number: MFCD00078484,MFCD00078484 InChI Key: IAKHMKGGTNLKSZ-INIZCTEOSA-N Synonym: colchicine,colchicina,colchicin,condylon,colchicinum,colchisol,colsaloid,colcin,colchineos,7alphah-colchicine PubChem CID: 45038708 IUPAC Name: 2,2,2-trideuterio-N-[(7S)-1,2,3-trimethoxy-9-oxo-10-(trideuteriomethoxy)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide SMILES: COC1=C(OC)C(OC)=C2C(CC[C@H](NC(C)=O)C3=CC(=O)C(OC)=CC=C23)=C1

Pricing & Availability
Specifications

PubChem CID	45038708
CAS	64-86-8
Molecular Weight (g/mol)	399.44
MDL Number	MFCD00078484,MFCD00078484
SMILES	COC1=C(OC)C(OC)=C2C(CC[C@H](NC(C)=O)C3=CC(=O)C(OC)=CC=C23)=C1
Synonym	colchicine,colchicina,colchicin,condylon,colchicinum,colchisol,colsaloid,colcin,colchineos,7alphah-colchicine
IUPAC Name	2,2,2-trideuterio-N-[(7S)-1,2,3-trimethoxy-9-oxo-10-(trideuteriomethoxy)-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
InChI Key	IAKHMKGGTNLKSZ-INIZCTEOSA-N
Molecular Formula	C22H25NO6

344

2,3-Dimethoxy-5-methyl-1,4-benzoquinone, 98%

CAS: 605-94-7 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD00001595 InChI Key: UIXPTCZPFCVOQF-UHFFFAOYSA-N Synonym: 2,3-dimethoxy-5-methyl-1,4-benzoquinone,coenzyme q0,ubiquinone 0,2,3-dimethoxy-5-methyl-p-benzoquinone,ubiquinone q0,ubiquinone-o,ubiquinone-0,coq0,2-methyl-4,5-dimethoxy-p-quinone,2,3-dimethoxy-5-methylbenzoquinone PubChem CID: 69068 ChEBI: CHEBI:27906 IUPAC Name: 2,3-dimethoxy-5-methylcyclohexa-2,5-diene-1,4-dione SMILES: COC1=C(OC)C(=O)C(C)=CC1=O

Pricing & Availability
Specifications

PubChem CID	69068
CAS	605-94-7
Molecular Weight (g/mol)	182.18
ChEBI	CHEBI:27906
MDL Number	MFCD00001595
SMILES	COC1=C(OC)C(=O)C(C)=CC1=O
Synonym	2,3-dimethoxy-5-methyl-1,4-benzoquinone,coenzyme q0,ubiquinone 0,2,3-dimethoxy-5-methyl-p-benzoquinone,ubiquinone q0,ubiquinone-o,ubiquinone-0,coq0,2-methyl-4,5-dimethoxy-p-quinone,2,3-dimethoxy-5-methylbenzoquinone
IUPAC Name	2,3-dimethoxy-5-methylcyclohexa-2,5-diene-1,4-dione
InChI Key	UIXPTCZPFCVOQF-UHFFFAOYSA-N
Molecular Formula	C9H10O4

345

2,5-Dihydroxy-1,4-benzoquinone, 98%

CAS: 615-94-1 Molecular Formula: C6H4O4 Molecular Weight (g/mol): 140.09 MDL Number: MFCD00001598 InChI Key: QFSYADJLNBHAKO-UHFFFAOYSA-N Synonym: 2,5-dihydroxy-1,4-benzoquinone,2,5-dihydroxy-p-benzoquinone,2,5-cyclohexadiene-1,4-dione, 2,5-dihydroxy,p-benzoquinone, 2,5-dihydroxy,2,5-dihydroxybenzoquinone,4lbp,2,5-dihydroxy-p-quinone,2,5-dihydroxy benzoquinone,2,5-dhbqop PubChem CID: 69213 IUPAC Name: 2,5-dihydroxycyclohexa-2,5-diene-1,4-dione SMILES: OC1=CC(=O)C(O)=CC1=O

Pricing & Availability
Specifications

PubChem CID	69213
CAS	615-94-1
Molecular Weight (g/mol)	140.09
MDL Number	MFCD00001598
SMILES	OC1=CC(=O)C(O)=CC1=O
Synonym	2,5-dihydroxy-1,4-benzoquinone,2,5-dihydroxy-p-benzoquinone,2,5-cyclohexadiene-1,4-dione, 2,5-dihydroxy,p-benzoquinone, 2,5-dihydroxy,2,5-dihydroxybenzoquinone,4lbp,2,5-dihydroxy-p-quinone,2,5-dihydroxy benzoquinone,2,5-dhbqop
IUPAC Name	2,5-dihydroxycyclohexa-2,5-diene-1,4-dione
InChI Key	QFSYADJLNBHAKO-UHFFFAOYSA-N
Molecular Formula	C6H4O4

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