Unclassified Organic Compounds

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

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871 – 885 of 162,845 results

871

Calcium Phosphate Dibasic, MP Biomedicals™

CAS: 7757-93-9 Molecular Formula: CaHO4P Molecular Weight (g/mol): 136.06 MDL Number: MFCD00010909 InChI Key: FUFJGUQYACFECW-UHFFFAOYSA-L Synonym: Calcium dihydrogenphosphate,Acid calcium phosphate,Calcium biphosphate,Monocalcium orthophosphate IUPAC Name: calcium hydrogen phosphate SMILES: [Ca++].OP([O-])([O-])=O

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Specifications

CAS	7757-93-9
Molecular Weight (g/mol)	136.06
MDL Number	MFCD00010909
SMILES	[Ca++].OP([O-])([O-])=O
Synonym	Calcium dihydrogenphosphate,Acid calcium phosphate,Calcium biphosphate,Monocalcium orthophosphate
IUPAC Name	calcium hydrogen phosphate
InChI Key	FUFJGUQYACFECW-UHFFFAOYSA-L
Molecular Formula	CaHO4P

872

Selectophore™ Lithium Ionophore VIII, Function Tested, MilliporeSigma™ Supelco™

CAS: 133338-85-9 Molecular Formula: C48H83N3O6 Molecular Weight (g/mol): 798.21 MDL Number: MFCD00467019 InChI Key: QSTVDAZAPLNMPD-UHFFFAOYSA-N Synonym: N,N,N′,N′,N′′,N′′-Hexacyclohexyl-4,4 ′,4 ′′-propylidynetris(3-oxabutyramide) IUPAC Name: N,N-dicyclohexyl-2-(2,2-di{[(dicyclohexylcarbamoyl)methoxy]methyl}butoxy)acetamide SMILES: CCC(COCC(=O)N(C1CCCCC1)C1CCCCC1)(COCC(=O)N(C1CCCCC1)C1CCCCC1)COCC(=O)N(C1CCCCC1)C1CCCCC1

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Specifications

CAS	133338-85-9
Molecular Weight (g/mol)	798.21
MDL Number	MFCD00467019
SMILES	CCC(COCC(=O)N(C1CCCCC1)C1CCCCC1)(COCC(=O)N(C1CCCCC1)C1CCCCC1)COCC(=O)N(C1CCCCC1)C1CCCCC1
Synonym	N,N,N′,N′,N′′,N′′-Hexacyclohexyl-4,4 ′,4 ′′-propylidynetris(3-oxabutyramide)
IUPAC Name	N,N-dicyclohexyl-2-(2,2-di{[(dicyclohexylcarbamoyl)methoxy]methyl}butoxy)acetamide
InChI Key	QSTVDAZAPLNMPD-UHFFFAOYSA-N
Molecular Formula	C48H83N3O6

873

5-Phosphorylribose 1-pyrophosphate sodium salt hydrate, MP Biomedicals™

CAS: 108321-05-7 Molecular Formula: C5H13NaO14P3 Molecular Weight (g/mol): 413.056 InChI Key: CFIMWVBJOCHTCA-UHFFFAOYSA-N Synonym: alpha-d-ribosyldiphosphate5-phosphatepentasodiumsalt PubChem CID: 133611921 IUPAC Name: [3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl] phosphono hydrogen phosphate;sodium SMILES: C(C1C(C(C(O1)OP(=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O.[Na]

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Specifications

PubChem CID	133611921
CAS	108321-05-7
Molecular Weight (g/mol)	413.056
SMILES	C(C1C(C(C(O1)OP(=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O.[Na]
Synonym	alpha-d-ribosyldiphosphate5-phosphatepentasodiumsalt
IUPAC Name	[3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl] phosphono hydrogen phosphate;sodium
InChI Key	CFIMWVBJOCHTCA-UHFFFAOYSA-N
Molecular Formula	C5H13NaO14P3

874

Dihydrogen hexafluorozirconate, 45% w/w aq. soln., Thermo Scientific Chemicals

CAS: 12021-95-3 Molecular Formula: F6H2Zr Molecular Weight (g/mol): 207.23 MDL Number: MFCD00082965 InChI Key: PZFQYBOZXGWNAM-UHFFFAOYSA-H Synonym: Hexafluorozirconic acid; Hydrogen hexafluorozirconate

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Specifications

CAS	12021-95-3
Molecular Weight (g/mol)	207.23
MDL Number	MFCD00082965
Synonym	Hexafluorozirconic acid; Hydrogen hexafluorozirconate
InChI Key	PZFQYBOZXGWNAM-UHFFFAOYSA-H
Molecular Formula	F6H2Zr

875

3,4,5-Trihydroxybenzoic acid monohydrate, ACS, 98+%

CAS: 5995-86-8 Molecular Formula: C7H5O5 Molecular Weight (g/mol): 169.11 MDL Number: MFCD00149098 InChI Key: LNTHITQWFMADLM-UHFFFAOYSA-M Synonym: gallic acid monohydrate,3,4,5-trihydroxybenzoic acid hydrate,galop hydrate,3,4,5-trihydroxybenzoic acid monohydrate,gallicum acidum,benzoic acid, 3,4,5-trihydroxy-, hydrate,gallic acid, monohydrate,gallicacidmonohydrate,gallic acid, acs,acmc-1ary0 PubChem CID: 24721416 SMILES: OC1=CC(=CC(O)=C1O)C([O-])=O

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Specifications

PubChem CID	24721416
CAS	5995-86-8
Molecular Weight (g/mol)	169.11
MDL Number	MFCD00149098
SMILES	OC1=CC(=CC(O)=C1O)C([O-])=O
Synonym	gallic acid monohydrate,3,4,5-trihydroxybenzoic acid hydrate,galop hydrate,3,4,5-trihydroxybenzoic acid monohydrate,gallicum acidum,benzoic acid, 3,4,5-trihydroxy-, hydrate,gallic acid, monohydrate,gallicacidmonohydrate,gallic acid, acs,acmc-1ary0
InChI Key	LNTHITQWFMADLM-UHFFFAOYSA-M
Molecular Formula	C7H5O5

876

DL-Pyroglutamic Acid, MP Biomedicals™

CAS: 149-87-1 Molecular Formula: C5H7NO3 Molecular Weight (g/mol): 129.12 MDL Number: MFCD00064322 InChI Key: ODHCTXKNWHHXJC-UHFFFAOYNA-N Synonym: dl-pyroglutamic acid,2-pyrrolidone-5-carboxylic acid,dl-proline, 5-oxo,5-oxo-dl-proline,pyroglutamate,h-dl-pyr-oh,pyrrolidonecarboxylic acid,5-oxoprolinate,d-+-pyroglutamic acid,dl-pidolic acid PubChem CID: 499 ChEBI: CHEBI:16010 IUPAC Name: 5-oxopyrrolidine-2-carboxylic acid SMILES: OC(=O)C1CCC(=O)N1

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Specifications

PubChem CID	499
CAS	149-87-1
Molecular Weight (g/mol)	129.12
ChEBI	CHEBI:16010
MDL Number	MFCD00064322
SMILES	OC(=O)C1CCC(=O)N1
Synonym	dl-pyroglutamic acid,2-pyrrolidone-5-carboxylic acid,dl-proline, 5-oxo,5-oxo-dl-proline,pyroglutamate,h-dl-pyr-oh,pyrrolidonecarboxylic acid,5-oxoprolinate,d-+-pyroglutamic acid,dl-pidolic acid
IUPAC Name	5-oxopyrrolidine-2-carboxylic acid
InChI Key	ODHCTXKNWHHXJC-UHFFFAOYNA-N
Molecular Formula	C5H7NO3

877

Calcium 3-hydroxy-3-methylbutyrate hydrate, 97+%

CAS: 135236-72-5 Molecular Formula: C10H18CaO6 Molecular Weight (g/mol): 274.33 MDL Number: MFCD01318562 InChI Key: WLJUMPWVUPNXMF-UHFFFAOYSA-L Synonym: calcium 3-hydroxy-3-methyl butyrate PubChem CID: 131847069 SMILES: [Ca++].CC(C)(O)CC([O-])=O.CC(C)(O)CC([O-])=O

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Specifications

PubChem CID	131847069
CAS	135236-72-5
Molecular Weight (g/mol)	274.33
MDL Number	MFCD01318562
SMILES	[Ca++].CC(C)(O)CC([O-])=O.CC(C)(O)CC([O-])=O
Synonym	calcium 3-hydroxy-3-methyl butyrate
InChI Key	WLJUMPWVUPNXMF-UHFFFAOYSA-L
Molecular Formula	C10H18CaO6

878

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

CAS: 6001-64-5 Molecular Formula: C4H11Cl3O2 Molecular Weight (g/mol): 197.48 MDL Number: MFCD00004461 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

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Specifications

PubChem CID	102594540
CAS	6001-64-5
Molecular Weight (g/mol)	197.48
MDL Number	MFCD00004461
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	C4H11Cl3O2

879

Uridine-5'-diphosphogalactose Disodium Salt, ≥98%, MP Biomedicals™

CAS: 137868-52-1 Molecular Formula: C15H22N2Na2O17P2 Molecular Weight (g/mol): 610.27 MDL Number: MFCD00077895 InChI Key: PKJQEQVCYGYYMM-UHFFFAOYNA-L Synonym: udp-a-d-galactose disodium salt PubChem CID: 126969254 IUPAC Name: disodium [5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl {[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl phosphonato]oxy}phosphonate SMILES: [Na+].[Na+].OCC1OC(OP([O-])(=O)OP([O-])(=O)OCC2OC(C(O)C2O)N2C=CC(=O)NC2=O)C(O)C(O)C1O

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Specifications

PubChem CID	126969254
CAS	137868-52-1
Molecular Weight (g/mol)	610.27
MDL Number	MFCD00077895
SMILES	[Na+].[Na+].OCC1OC(OP([O-])(=O)OP([O-])(=O)OCC2OC(C(O)C2O)N2C=CC(=O)NC2=O)C(O)C(O)C1O
Synonym	udp-a-d-galactose disodium salt
IUPAC Name	disodium [5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl {[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl phosphonato]oxy}phosphonate
InChI Key	PKJQEQVCYGYYMM-UHFFFAOYNA-L
Molecular Formula	C15H22N2Na2O17P2

880

Thermo Scientific Chemicals Apixaban

CAS: 503612-47-3 Molecular Formula: C25H25N5O4 Molecular Weight (g/mol): 459.51 InChI Key: QNZCBYKSOIHPEH-UHFFFAOYSA-N IUPAC Name: 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-3-carboxamide SMILES: COC1=CC=C(C=C1)N1N=C(C(N)=O)C2=C1C(=O)N(CC2)C1=CC=C(C=C1)N1CCCCC1=O

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Specifications

CAS	503612-47-3
Molecular Weight (g/mol)	459.51
SMILES	COC1=CC=C(C=C1)N1N=C(C(N)=O)C2=C1C(=O)N(CC2)C1=CC=C(C=C1)N1CCCCC1=O
IUPAC Name	1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-3-carboxamide
InChI Key	QNZCBYKSOIHPEH-UHFFFAOYSA-N
Molecular Formula	C25H25N5O4

881

Thermo Scientific™ Lercanidipine hydrochloride, 98%

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882

Black Pepper Oil, FCC, Spectrum™ Chemical

CAS: 8006-82-4

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Specifications

CAS	8006-82-4

883

1,3-Cyclopentanedione, 98%

CAS: 3859-41-4 Molecular Formula: C5H6O2 Molecular Weight (g/mol): 98.10 MDL Number: MFCD00001405 InChI Key: LOGSONSNCYTHPS-UHFFFAOYSA-N PubChem CID: 77466 ChEBI: CHEBI:41456 IUPAC Name: cyclopentane-1,3-dione SMILES: O=C1CCC(=O)C1

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Specifications

PubChem CID	77466
CAS	3859-41-4
Molecular Weight (g/mol)	98.10
ChEBI	CHEBI:41456
MDL Number	MFCD00001405
SMILES	O=C1CCC(=O)C1
IUPAC Name	cyclopentane-1,3-dione
InChI Key	LOGSONSNCYTHPS-UHFFFAOYSA-N
Molecular Formula	C5H6O2

884

Abacavir Related Compound C, Certified Reference Material, MilliporeSigma™ Supelco™

Pharmaceutical secondary standards for application in quality control. Provides pharma laboratories and manufacturers with a convenient, and cost-effective alternative to the preparation of in-house working standards.

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885

N1,N12-Diacetylspermine Hydrochloride Analytical Standard, MilliporeSigma™ Supelco™

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Specifications

Percent Purity	≥95% (HPLC)
CAS	61345-83-3 (Free Base)
MDL Number	MFCD30533822
UN Number	NONH for all modes of transport
Synonym	N,N'-[1,4-Butanediylbis(imino-3,1-propanediyl)]bis[acetamide] hydrochloride; DAS; N1,N12-Bis(acetyl)spermine hydrochloride
Recommended Storage	2°C to 8°C
Shelf Life	Limited shelf life, expiry date on the label
Molecular Formula	C14H30N4O2 · xHCl
Formula Weight	286.41 (Free Base Basis)

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