Unclassified Organic Compounds

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

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811 – 825 of 203,284 results

811

Thermo Scientific Chemicals Nateglinide

CAS: 105816-04-4 Molecular Formula: C19H27NO3 Molecular Weight (g/mol): 317.43 InChI Key: CZCVBLROPSHDRZ-YESZJQIVSA-N IUPAC Name: (2R)-3-phenyl-2-{[(1S,3S)-3-(propan-2-yl)cyclohexyl]formamido}propanoic acid SMILES: CC(C)[C@H]1CCC[C@@H](C1)C(=O)N[C@H](CC1=CC=CC=C1)C(O)=O

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Specifications

CAS	105816-04-4
Molecular Weight (g/mol)	317.43
SMILES	CC(C)[C@H]1CCC[C@@H](C1)C(=O)N[C@H](CC1=CC=CC=C1)C(O)=O
IUPAC Name	(2R)-3-phenyl-2-{[(1S,3S)-3-(propan-2-yl)cyclohexyl]formamido}propanoic acid
InChI Key	CZCVBLROPSHDRZ-YESZJQIVSA-N
Molecular Formula	C19H27NO3

812

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Risedronic acid sodium salt, Thermo Scientific Chemicals

CAS: 115436-72-1 Molecular Formula: C7H10NNaO7P2 Molecular Weight (g/mol): 305.09 MDL Number: MFCD00867080,MFCD01706268,MFCD00867080 InChI Key: DRFDPXKCEWYIAW-UHFFFAOYNA-M IUPAC Name: sodium hydrogen [1-hydroxy-1-phosphono-2-(pyridin-3-yl)ethyl]phosphonate SMILES: [Na+].OC(CC1=CN=CC=C1)(P(O)(O)=O)P(O)([O-])=O

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Specifications

CAS	115436-72-1
Molecular Weight (g/mol)	305.09
MDL Number	MFCD00867080,MFCD01706268,MFCD00867080
SMILES	[Na+].OC(CC1=CN=CC=C1)(P(O)(O)=O)P(O)([O-])=O
IUPAC Name	sodium hydrogen [1-hydroxy-1-phosphono-2-(pyridin-3-yl)ethyl]phosphonate
InChI Key	DRFDPXKCEWYIAW-UHFFFAOYNA-M
Molecular Formula	C7H10NNaO7P2

813

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Zanamivir monohydrate

CAS: 1260601-68-0 Molecular Formula: C12 H20 N4 O7 . H2 O Molecular Weight (g/mol): 350.33 MDL Number: MFCD00866966

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Specifications

CAS	1260601-68-0
Molecular Weight (g/mol)	350.33
MDL Number	MFCD00866966
Molecular Formula	C12 H20 N4 O7 . H2 O

814

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Palonosetron hydrochloride

CAS: 135729-62-3 Molecular Formula: C19H25ClN2O Molecular Weight (g/mol): 332.87 MDL Number: MFCD00939524 InChI Key: OLDRWYVIKMSFFB-KPVRICSOSA-N IUPAC Name: hydrogen (5R)-3-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-azatricyclo[7.3.1.0⁵,¹³]trideca-1(13),9,11-trien-2-one chloride SMILES: [H+].[Cl-].O=C1N(C[C@@H]2CCCC3=CC=CC1=C23)[C@@H]1CN2CCC1CC2

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Specifications

CAS	135729-62-3
Molecular Weight (g/mol)	332.87
MDL Number	MFCD00939524
SMILES	[H+].[Cl-].O=C1N(C[C@@H]2CCCC3=CC=CC1=C23)[C@@H]1CN2CCC1CC2
IUPAC Name	hydrogen (5R)-3-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-azatricyclo[7.3.1.0⁵,¹³]trideca-1(13),9,11-trien-2-one chloride
InChI Key	OLDRWYVIKMSFFB-KPVRICSOSA-N
Molecular Formula	C19H25ClN2O

815

Thermo Scientific Chemicals Emamectin benzoate, mixture

CAS: 155569-91-8 Molecular Formula: C56H81NO15 Molecular Weight (g/mol): 1008.26 InChI Key: GCKZANITAMOIAR-XWVCPFKXSA-N IUPAC Name: (1'R,2S,4'S,5S,6R,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-6-[(2S)-butan-2-yl]-21',24'-dihydroxy-12'-{[(2R,4S,5S,6S)-4-methoxy-5-{[(2S,4S,5S,6S)-4-methoxy-6-methyl-5-(methylamino)oxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-5,11',13',22'-tetramethyl-5,6-dihydro-3',7',19'-trioxaspiro[pyran-2,6'-tetracyclo[15.6.1.1⁴,⁸.0²⁰,²⁴]pentacosane]-10',14',16',22'-tetraen-2'-one; benzoic acid SMILES: OC(=O)C1=CC=CC=C1.CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C\C=C(C)\[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](NC)[C@H](C)O5)[C@H](C)O4)[C@@H](C)\C=C\C=C4/CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C=C[C@@H]1C

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Specifications

CAS	155569-91-8
Molecular Weight (g/mol)	1008.26
SMILES	OC(=O)C1=CC=CC=C1.CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C\C=C(C)\[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](NC)[C@H](C)O5)[C@H](C)O4)[C@@H](C)\C=C\C=C4/CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C=C[C@@H]1C
IUPAC Name	(1'R,2S,4'S,5S,6R,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-6-[(2S)-butan-2-yl]-21',24'-dihydroxy-12'-{[(2R,4S,5S,6S)-4-methoxy-5-{[(2S,4S,5S,6S)-4-methoxy-6-methyl-5-(methylamino)oxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-5,11',13',22'-tetramethyl-5,6-dihydro-3',7',19'-trioxaspiro[pyran-2,6'-tetracyclo[15.6.1.1⁴,⁸.0²⁰,²⁴]pentacosane]-10',14',16',22'-tetraen-2'-one; benzoic acid
InChI Key	GCKZANITAMOIAR-XWVCPFKXSA-N
Molecular Formula	C56H81NO15

816

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Sitafloxacin sesquihydrate, Thermo Scientific Chemicals

CAS: 163253-35-8 Molecular Formula: C38H42Cl2F4N6O9 Molecular Weight (g/mol): 873.68 InChI Key: MPORYQCGWFQFLA-UHFFFAOYNA-N IUPAC Name: bis(7-{7-amino-5-azaspiro[2.4]heptan-5-yl}-8-chloro-6-fluoro-1-(2-fluorocyclopropyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid) trihydrate SMILES: O.O.O.NC1CN(CC11CC1)C1=C(F)C=C2C(=O)C(=CN(C3CC3F)C2=C1Cl)C(O)=O.NC1CN(CC11CC1)C1=C(F)C=C2C(=O)C(=CN(C3CC3F)C2=C1Cl)C(O)=O

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Specifications

CAS	163253-35-8
Molecular Weight (g/mol)	873.68
SMILES	O.O.O.NC1CN(CC11CC1)C1=C(F)C=C2C(=O)C(=CN(C3CC3F)C2=C1Cl)C(O)=O.NC1CN(CC11CC1)C1=C(F)C=C2C(=O)C(=CN(C3CC3F)C2=C1Cl)C(O)=O
IUPAC Name	bis(7-{7-amino-5-azaspiro[2.4]heptan-5-yl}-8-chloro-6-fluoro-1-(2-fluorocyclopropyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid) trihydrate
InChI Key	MPORYQCGWFQFLA-UHFFFAOYNA-N
Molecular Formula	C38H42Cl2F4N6O9

817

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4,4-Dimethylcyclohexanone, 98%, Thermo Scientific Chemicals

CAS: 4255-62-3 Molecular Formula: C8H14O Molecular Weight (g/mol): 126.199 MDL Number: MFCD00234965 InChI Key: PXQMSTLNSHMSJB-UHFFFAOYSA-N Synonym: 4,4-dimethylcyclohexanone,cyclohexanone, 4,4-dimethyl,4,4-dimethyl cyclohexanone,4,4-dimethyl-cyclohexan-1-one,4,4-dimethycyclohexanone,4.4-dimethylcyclohexanone,acmc-209jq8,4,4-dimethyl-cyclohexanone,ksc494a0f,4,4-dimethyl-1-cyclohexanone PubChem CID: 138166 IUPAC Name: 4,4-dimethylcyclohexan-1-one SMILES: CC1(CCC(=O)CC1)C

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Specifications

PubChem CID	138166
CAS	4255-62-3
Molecular Weight (g/mol)	126.199
MDL Number	MFCD00234965
SMILES	CC1(CCC(=O)CC1)C
Synonym	4,4-dimethylcyclohexanone,cyclohexanone, 4,4-dimethyl,4,4-dimethyl cyclohexanone,4,4-dimethyl-cyclohexan-1-one,4,4-dimethycyclohexanone,4.4-dimethylcyclohexanone,acmc-209jq8,4,4-dimethyl-cyclohexanone,ksc494a0f,4,4-dimethyl-1-cyclohexanone
IUPAC Name	4,4-dimethylcyclohexan-1-one
InChI Key	PXQMSTLNSHMSJB-UHFFFAOYSA-N
Molecular Formula	C8H14O

818

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4-Chloro-alpha-toluenesulfonyl chloride, 97%

CAS: 6966-45-6 Molecular Formula: C7H6Cl2O2S Molecular Weight (g/mol): 225.083 MDL Number: MFCD01631927 InChI Key: DBJRPJSDYFDWPV-UHFFFAOYSA-N Synonym: 4-chlorophenyl methanesulfonyl chloride,4-chlorobenzylsulfonyl chloride,4-chloro-phenyl-methanesulfonyl chloride,4-chloro-alpha-toluenesulfonyl chloride,chloro 4-chlorophenyl methyl sulfone,4-chlorobenzenemethanesulfonyl chloride,4-chlorophenyl methanesulphonyl chloride,4-chlorophenyl methyl sulfonyl chloride,acmc-20apnh PubChem CID: 227304 IUPAC Name: (4-chlorophenyl)methanesulfonyl chloride SMILES: C1=CC(=CC=C1CS(=O)(=O)Cl)Cl

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Specifications

PubChem CID	227304
CAS	6966-45-6
Molecular Weight (g/mol)	225.083
MDL Number	MFCD01631927
SMILES	C1=CC(=CC=C1CS(=O)(=O)Cl)Cl
Synonym	4-chlorophenyl methanesulfonyl chloride,4-chlorobenzylsulfonyl chloride,4-chloro-phenyl-methanesulfonyl chloride,4-chloro-alpha-toluenesulfonyl chloride,chloro 4-chlorophenyl methyl sulfone,4-chlorobenzenemethanesulfonyl chloride,4-chlorophenyl methanesulphonyl chloride,4-chlorophenyl methyl sulfonyl chloride,acmc-20apnh
IUPAC Name	(4-chlorophenyl)methanesulfonyl chloride
InChI Key	DBJRPJSDYFDWPV-UHFFFAOYSA-N
Molecular Formula	C7H6Cl2O2S

819

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Balsalazide disodium dihydrate, Thermo Scientific Chemicals

CAS: 150399-21-6 Molecular Formula: C17H17N3Na2O8 Molecular Weight (g/mol): 437.32 InChI Key: HYSVUPBQPCRAJM-PIFVRXTCSA-L IUPAC Name: disodium (3Z)-3-(2-{4-[(2-carboxylatoethyl)carbamoyl]phenyl}hydrazin-1-ylidene)-6-oxocyclohexa-1,4-diene-1-carboxylate dihydrate SMILES: O.O.[Na+].[Na+].[O-]C(=O)CCNC(=O)C1=CC=C(N\N=C2\C=CC(=O)C(=C2)C([O-])=O)C=C1

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Specifications

CAS	150399-21-6
Molecular Weight (g/mol)	437.32
SMILES	O.O.[Na+].[Na+].[O-]C(=O)CCNC(=O)C1=CC=C(N\N=C2\C=CC(=O)C(=C2)C([O-])=O)C=C1
IUPAC Name	disodium (3Z)-3-(2-{4-[(2-carboxylatoethyl)carbamoyl]phenyl}hydrazin-1-ylidene)-6-oxocyclohexa-1,4-diene-1-carboxylate dihydrate
InChI Key	HYSVUPBQPCRAJM-PIFVRXTCSA-L
Molecular Formula	C17H17N3Na2O8

820

Ondansetron Related Compound A, 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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821

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1-(2-Thiazolylazo)-2-naphthol, 98%

CAS: 1147-56-4 Molecular Formula: C13H9N3OS Molecular Weight (g/mol): 255.30 MDL Number: MFCD00021611 InChI Key: GCBAKGGJQPMJLL-QINSGFPZSA-N Synonym: 1-2-thiazolylazo-2-naphthol,1-2-thiazoylazo-2-naphthol,2-naphthol, 1-2-thiazolylazo,2-naphthalenol, 1-2-thiazolylazo,1z-1-1,3-thiazol-2-ylhydrazinylidene naphthalen-2-one,1-1,3-thiazol-2-yldiazenyl-2-naphthol,1z-1-2-thiazolylhydrazinylidene-2-naphthalenone,1-thiazol-2-ylazo-2-naphthol,2-naphthalenol, 1-2-2-thiazolyl diazenyl,iomxcgdxeudzak-foclmdbbsa-n PubChem CID: 6308684 SMILES: O=C1C=CC2=CC=CC=C2\C1=N\NC1=NC=CS1

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Specifications

PubChem CID	6308684
CAS	1147-56-4
Molecular Weight (g/mol)	255.30
MDL Number	MFCD00021611
SMILES	O=C1C=CC2=CC=CC=C2\C1=N\NC1=NC=CS1
Synonym	1-2-thiazolylazo-2-naphthol,1-2-thiazoylazo-2-naphthol,2-naphthol, 1-2-thiazolylazo,2-naphthalenol, 1-2-thiazolylazo,1z-1-1,3-thiazol-2-ylhydrazinylidene naphthalen-2-one,1-1,3-thiazol-2-yldiazenyl-2-naphthol,1z-1-2-thiazolylhydrazinylidene-2-naphthalenone,1-thiazol-2-ylazo-2-naphthol,2-naphthalenol, 1-2-2-thiazolyl diazenyl,iomxcgdxeudzak-foclmdbbsa-n
InChI Key	GCBAKGGJQPMJLL-QINSGFPZSA-N
Molecular Formula	C13H9N3OS

822

MilliporeSigma™ ABTS™ Chromophore, Calbiochem™,

CAS: 1330-20-7 Molecular Formula: C₁₈H₁₈N₄O₆S₄ Synonym: 2,2'-Azino-bis(3-ethylbenzthiazoline-6-sulfonic Acid)

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Specifications

CAS	1330-20-7
Synonym	2,2'-Azino-bis(3-ethylbenzthiazoline-6-sulfonic Acid)
Molecular Formula	C₁₈H₁₈N₄O₆S₄

823

Monensin sodium salt, 90%, Thermo Scientific Chemicals

CAS: 22373-78-0 Molecular Formula: C36H61NaO11 Molecular Weight (g/mol): 692.86 InChI Key: XOIQMTLWECTKJL-FBZUZRIGSA-M IUPAC Name: sodium (2S,3R,4S)-4-[(2S,5R,7S,8R,9S)-2-[(2S,2'R,3'S,5R,5'R)-2-ethyl-5'-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3'-methyl-[2,2'-bioxolan]-5-yl]-9-hydroxy-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-3-methoxy-2-methylpentanoate SMILES: [Na+].CC[C@]1(CC[C@@H](O1)[C@]1(C)CC[C@]2(C[C@H](O)[C@@H](C)[C@H](O2)[C@@H](C)[C@@H](OC)[C@H](C)C([O-])=O)O1)[C@@H]1O[C@H](C[C@@H]1C)[C@H]1O[C@@](O)(CO)[C@H](C)C[C@@H]1C

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Specifications

CAS	22373-78-0
Molecular Weight (g/mol)	692.86
SMILES	[Na+].CC[C@]1(CC[C@@H](O1)[C@]1(C)CC[C@]2(C[C@H](O)[C@@H](C)[C@H](O2)[C@@H](C)[C@@H](OC)[C@H](C)C([O-])=O)O1)[C@@H]1O[C@H](C[C@@H]1C)[C@H]1O[C@@](O)(CO)[C@H](C)C[C@@H]1C
IUPAC Name	sodium (2S,3R,4S)-4-[(2S,5R,7S,8R,9S)-2-[(2S,2'R,3'S,5R,5'R)-2-ethyl-5'-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3'-methyl-[2,2'-bioxolan]-5-yl]-9-hydroxy-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-3-methoxy-2-methylpentanoate
InChI Key	XOIQMTLWECTKJL-FBZUZRIGSA-M
Molecular Formula	C36H61NaO11

824

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meso-Tetrakis(4-methoxyphenyl)porphine, 95%

CAS: 22112-78-3 Molecular Formula: C48H38N4O4 Molecular Weight (g/mol): 734.856 MDL Number: MFCD09909566 InChI Key: SKXWDGDNWBYACJ-UHFFFAOYSA-N Synonym: 5,10,15,20-tetrakis 4-methoxyphenyl-21h,23h-porphine,5,10,15,20-tetrakis 4-methoxyphenyl porphyrin,tetra p-methoxyphenyl porphyrin,21h,23h-porphine, 5,10,15,20-tetrakis 4-methoxyphenyl,5,10,15,20-tetrakis 4-methoxyphenyl-21,22-dihydroporphyrin,2,7,12,17-tetrakis 4-methoxyphenyl-21,22,23,24-tetraazapentacyclo 16.2.1.1 3 ,?.1?, 1 1 .1 1 3 , 1 ? tetracosa-1,3,5,7,9,11 23 ,12,14,16,18 21 ,19-undecaene,4-methoxy-1-7,12,17-tris 4-methoxyphenyl-21,22,23,24-tetraazapentacyclo 16.2 .1.1<3,6>.1<8,11>.1<13,16> tetracosa-1,3,5,7,9,11 23 ,12,14,16,18 21 ,19-undec aen-2-yl benzene,acmc-209fs6,tetrakis p-methoxyphenyl porphyrin,meso-tetra 4-methoxyphenyl porphine PubChem CID: 140886 IUPAC Name: 5,10,15,20-tetrakis(4-methoxyphenyl)-21,22-dihydroporphyrin SMILES: COC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)OC)C8=CC=C(C=C8)OC)C9=CC=C(C=C9)OC)N3

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Specifications

PubChem CID	140886
CAS	22112-78-3
Molecular Weight (g/mol)	734.856
MDL Number	MFCD09909566
SMILES	COC1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)OC)C8=CC=C(C=C8)OC)C9=CC=C(C=C9)OC)N3
Synonym	5,10,15,20-tetrakis 4-methoxyphenyl-21h,23h-porphine,5,10,15,20-tetrakis 4-methoxyphenyl porphyrin,tetra p-methoxyphenyl porphyrin,21h,23h-porphine, 5,10,15,20-tetrakis 4-methoxyphenyl,5,10,15,20-tetrakis 4-methoxyphenyl-21,22-dihydroporphyrin,2,7,12,17-tetrakis 4-methoxyphenyl-21,22,23,24-tetraazapentacyclo 16.2.1.1 3 ,?.1?, 1 1 .1 1 3 , 1 ? tetracosa-1,3,5,7,9,11 23 ,12,14,16,18 21 ,19-undecaene,4-methoxy-1-7,12,17-tris 4-methoxyphenyl-21,22,23,24-tetraazapentacyclo 16.2 .1.1<3,6>.1<8,11>.1<13,16> tetracosa-1,3,5,7,9,11 23 ,12,14,16,18 21 ,19-undec aen-2-yl benzene,acmc-209fs6,tetrakis p-methoxyphenyl porphyrin,meso-tetra 4-methoxyphenyl porphine
IUPAC Name	5,10,15,20-tetrakis(4-methoxyphenyl)-21,22-dihydroporphyrin
InChI Key	SKXWDGDNWBYACJ-UHFFFAOYSA-N
Molecular Formula	C48H38N4O4

825

Litmus, MP Biomedicals™

CAS: 1393-92-6 MDL Number: MFCD00131528 Synonym: C.I. Natural Red 28,Lackmus,Tournesole,Chhadila

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Specifications

CAS	1393-92-6
MDL Number	MFCD00131528
Synonym	C.I. Natural Red 28,Lackmus,Tournesole,Chhadila

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