Unclassified Organic Compounds

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

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2,161 – 2,175 of 208,279 results

2,161

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Prednisolone Acetate, Micronized, USP, 97-102%, Spectrum™ Chemical

CAS: 52-21-1 Molecular Formula: C23H30O6 Molecular Weight (g/mol): 402.49 InChI Key: LRJOMUJRLNCICJ-JZYPGELDSA-N IUPAC Name: 2-[(1R,3aS,3bS,9aR,9bS,10S,11aS)-1,10-dihydroxy-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl acetate SMILES: CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C

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Specifications

CAS	52-21-1
Molecular Weight (g/mol)	402.49
SMILES	CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
IUPAC Name	2-[(1R,3aS,3bS,9aR,9bS,10S,11aS)-1,10-dihydroxy-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl acetate
InChI Key	LRJOMUJRLNCICJ-JZYPGELDSA-N
Molecular Formula	C23H30O6

2,162

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1,1'-Di-n-octadecyl-3,3,3',3'-tetramethylindocarbocyanine perchlorate, 97%

CAS: 41085-99-8 Molecular Formula: C59H98ClN2O4+ Molecular Weight (g/mol): 934.893 MDL Number: MFCD00142354 InChI Key: JVXZRNYCRFIEGV-UHFFFAOYSA-N Synonym: 1,1'-dioctadecyl-3,3,3',3'-tetramethylindocarbocyanine perchlorate PubChem CID: 129893813 IUPAC Name: (2E)-2-[(E)-3-(3,3-dimethyl-1-octadecylindol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethyl-1-octadecylindole;perchloric acid SMILES: CCCCCCCCCCCCCCCCCCN1C2=CC=CC=C2C(C1=CC=CC3=[N+](C4=CC=CC=C4C3(C)C)CCCCCCCCCCCCCCCCCC)(C)C.OCl(=O)(=O)=O

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Specifications

PubChem CID	129893813
CAS	41085-99-8
Molecular Weight (g/mol)	934.893
MDL Number	MFCD00142354
SMILES	CCCCCCCCCCCCCCCCCCN1C2=CC=CC=C2C(C1=CC=CC3=[N+](C4=CC=CC=C4C3(C)C)CCCCCCCCCCCCCCCCCC)(C)C.OCl(=O)(=O)=O
Synonym	1,1'-dioctadecyl-3,3,3',3'-tetramethylindocarbocyanine perchlorate
IUPAC Name	(2E)-2-[(E)-3-(3,3-dimethyl-1-octadecylindol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethyl-1-octadecylindole;perchloric acid
InChI Key	JVXZRNYCRFIEGV-UHFFFAOYSA-N
Molecular Formula	C59H98ClN2O4+

2,163

alpha-Amino-gamma-butyrolactone hydrobromide, 99%

CAS: 6305-38-0 Molecular Formula: C₄H₇NO₂·BrH Molecular Weight (g/mol): 182.02 MDL Number: MFCD00012723 InChI Key: MKLNTBLOABOJFZ-UHFFFAOYSA-N Synonym: alpha-amino-gamma-butyrolactone hydrobromide,3-aminooxolan-2-one hydrobromide,hsls hydrobromide,3-aminodihydrofuran-2 3h-one hydrobromide,2-amino-4-butyrolactone,2 3h-furanone, hydrobromide,2 3h-furanone, 3-aminodihydro-, hydrobromide,2 3h-furanone,3-aminodihydro-, hydrobromide 1:1,hydrobromide alpha-amino-gamma-butyrolactone,l-homoserine lactone hbr PubChem CID: 73508 IUPAC Name: 3-aminooxolan-2-one;hydrobromide SMILES: C1COC(=O)C1N.Br

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Specifications

PubChem CID	73508
CAS	6305-38-0
Molecular Weight (g/mol)	182.02
MDL Number	MFCD00012723
SMILES	C1COC(=O)C1N.Br
Synonym	alpha-amino-gamma-butyrolactone hydrobromide,3-aminooxolan-2-one hydrobromide,hsls hydrobromide,3-aminodihydrofuran-2 3h-one hydrobromide,2-amino-4-butyrolactone,2 3h-furanone, hydrobromide,2 3h-furanone, 3-aminodihydro-, hydrobromide,2 3h-furanone,3-aminodihydro-, hydrobromide 1:1,hydrobromide alpha-amino-gamma-butyrolactone,l-homoserine lactone hbr
IUPAC Name	3-aminooxolan-2-one;hydrobromide
InChI Key	MKLNTBLOABOJFZ-UHFFFAOYSA-N
Molecular Formula	C₄H₇NO₂·BrH

2,164

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N-Boc-3,4-dichloro-L-phenylalanine, 95%, Thermo Scientific Chemicals

CAS: 80741-39-5 Molecular Formula: C14H16Cl2NO4 Molecular Weight (g/mol): 333.19 MDL Number: MFCD00273436 InChI Key: UGZIQCCPEDCGGN-NSHDSACASA-M Synonym: boc-3,4-dichloro-l-phenylalanine,boc-phe 3,4-dicl-oh,boc-l-3,4-dichlorophe,s-2-tert-butoxycarbonyl amino-3-3,4-dichlorophenyl propanoic acid,boc-l-3,4-dichlorophenylalanine,2s-2-tert-butoxycarbonyl amino-3-3,4-dichlorophenyl propanoic acid,2s-2-tert-butoxycarbonylamino-3-3,4-dichlorophenyl propanoic acid,boc-3,4-dichloro-phe-oh,boc-phe 3,4-cl2-oh,boc-l-3,4-dichloro phenylalanine PubChem CID: 2734501 IUPAC Name: (2S)-3-(3,4-dichlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(Cl)C(Cl)=C1)C([O-])=O

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Specifications

PubChem CID	2734501
CAS	80741-39-5
Molecular Weight (g/mol)	333.19
MDL Number	MFCD00273436
SMILES	CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(Cl)C(Cl)=C1)C([O-])=O
Synonym	boc-3,4-dichloro-l-phenylalanine,boc-phe 3,4-dicl-oh,boc-l-3,4-dichlorophe,s-2-tert-butoxycarbonyl amino-3-3,4-dichlorophenyl propanoic acid,boc-l-3,4-dichlorophenylalanine,2s-2-tert-butoxycarbonyl amino-3-3,4-dichlorophenyl propanoic acid,2s-2-tert-butoxycarbonylamino-3-3,4-dichlorophenyl propanoic acid,boc-3,4-dichloro-phe-oh,boc-phe 3,4-cl2-oh,boc-l-3,4-dichloro phenylalanine
IUPAC Name	(2S)-3-(3,4-dichlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI Key	UGZIQCCPEDCGGN-NSHDSACASA-M
Molecular Formula	C14H16Cl2NO4

2,165

Riboflavin-5-phosphate, Sodium salt, MP Biomedicals™

CAS: 130-40-5 Molecular Formula: C17H21N4NaO9P Molecular Weight (g/mol): 479.34 MDL Number: MFCD00065362,MFCD00150992 InChI Key: WXEASYCOEACRIK-UHFFFAOYNA-N PubChem CID: 131673928 IUPAC Name: [(5-{7,8-dimethyl-2,4-dioxo-2H,3H,4H,10H-benzo[g]pteridin-10-yl}-2,3,4-trihydroxypentyl)oxy]phosphonic acid sodium SMILES: [Na].CC1=C(C)C=C2N(CC(O)C(O)C(O)COP(O)(O)=O)C3=NC(=O)NC(=O)C3=NC2=C1

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Specifications

PubChem CID	131673928
CAS	130-40-5
Molecular Weight (g/mol)	479.34
MDL Number	MFCD00065362,MFCD00150992
SMILES	[Na].CC1=C(C)C=C2N(CC(O)C(O)C(O)COP(O)(O)=O)C3=NC(=O)NC(=O)C3=NC2=C1
IUPAC Name	[(5-{7,8-dimethyl-2,4-dioxo-2H,3H,4H,10H-benzo[g]pteridin-10-yl}-2,3,4-trihydroxypentyl)oxy]phosphonic acid sodium
InChI Key	WXEASYCOEACRIK-UHFFFAOYNA-N
Molecular Formula	C17H21N4NaO9P

2,166

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Prilocaine, USP, 98-102%, Spectrum™ Chemical

CAS: 721-50-6 Molecular Formula: C13H20N2O Molecular Weight (g/mol): 220.32 MDL Number: MFCD00048681 InChI Key: MVFGUOIZUNYYSO-UHFFFAOYNA-N IUPAC Name: N-(2-methylphenyl)-2-(propylamino)propanamide SMILES: CCCNC(C)C(=O)NC1=CC=CC=C1C

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Specifications

CAS	721-50-6
Molecular Weight (g/mol)	220.32
MDL Number	MFCD00048681
SMILES	CCCNC(C)C(=O)NC1=CC=CC=C1C
IUPAC Name	N-(2-methylphenyl)-2-(propylamino)propanamide
InChI Key	MVFGUOIZUNYYSO-UHFFFAOYNA-N
Molecular Formula	C13H20N2O

2,167

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Thermo Scientific Chemicals 2-Methyl-DL-serine hydrate, 96%

CAS: 5424-29-3 Molecular Formula: C4H9NO3 Molecular Weight (g/mol): 119.12 MDL Number: MFCD03791288 InChI Key: CDUUKBXTEOFITR-UHFFFAOYNA-N Synonym: 2-methylserine,alpha-methyl-dl-serine,dl-2-methylserine,alpha-methylserine,2-methyl-dl-serine,dl-serine, 2-methyl,dl-alpha-methylserine,dl-.alpha.-methylserine,dl-2-methylserine hydrate,.alpha.-methyl-dl-serine PubChem CID: 94309 ChEBI: CHEBI:17799 IUPAC Name: 2-amino-3-hydroxy-2-methylpropanoic acid SMILES: CC(N)(CO)C(O)=O

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Specifications

PubChem CID	94309
CAS	5424-29-3
Molecular Weight (g/mol)	119.12
ChEBI	CHEBI:17799
MDL Number	MFCD03791288
SMILES	CC(N)(CO)C(O)=O
Synonym	2-methylserine,alpha-methyl-dl-serine,dl-2-methylserine,alpha-methylserine,2-methyl-dl-serine,dl-serine, 2-methyl,dl-alpha-methylserine,dl-.alpha.-methylserine,dl-2-methylserine hydrate,.alpha.-methyl-dl-serine
IUPAC Name	2-amino-3-hydroxy-2-methylpropanoic acid
InChI Key	CDUUKBXTEOFITR-UHFFFAOYNA-N
Molecular Formula	C4H9NO3

2,168

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Thermo Scientific Chemicals Iminodiacetic acid, 98+%

CAS: 142-73-4 Molecular Formula: C₄H₇NO₄ Molecular Weight (g/mol): 133.1 MDL Number: MFCD00004280 InChI Key: NBZBKCUXIYYUSX-UHFFFAOYSA-N Synonym: iminodiacetic acid,2,2'-iminodiacetic acid,glycine, n-carboxymethyl,aminodiacetic acid,diglycocoll,diglykokoll,diglycin,iminodiethanoic acid,n-carboxymethyl glycine,2,2'-azanediyldiacetic acid PubChem CID: 8897 ChEBI: CHEBI:24786 IUPAC Name: 2-(carboxymethylamino)acetic acid SMILES: C(C(=O)O)NCC(=O)O

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Specifications

PubChem CID	8897
CAS	142-73-4
Molecular Weight (g/mol)	133.1
ChEBI	CHEBI:24786
MDL Number	MFCD00004280
SMILES	C(C(=O)O)NCC(=O)O
Synonym	iminodiacetic acid,2,2'-iminodiacetic acid,glycine, n-carboxymethyl,aminodiacetic acid,diglycocoll,diglykokoll,diglycin,iminodiethanoic acid,n-carboxymethyl glycine,2,2'-azanediyldiacetic acid
IUPAC Name	2-(carboxymethylamino)acetic acid
InChI Key	NBZBKCUXIYYUSX-UHFFFAOYSA-N
Molecular Formula	C₄H₇NO₄

2,169

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1-[(Ethoxycarbonyl)methyl]-1H-pyrazole-4-boronic acid pinacol ester, 97%

CAS: 864754-16-5 Molecular Formula: C13H21BN2O4 Molecular Weight (g/mol): 280.13 MDL Number: MFCD08706026 InChI Key: YUEZJHOSHBTWPV-UHFFFAOYSA-N Synonym: ethyl 2-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrazol-1-yl acetate,1-ethoxycarbonylmethyl-1h-pyrazole-4-boronic acid pinacol ester,1-ethoxycarbonylmethyl-1h-pyrazole-4-boronic acid, pinacol ester,1-ethoxycarbonylmethyl pyrazole-4-boronic acid pinacol ester,4-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-pyrazol-1-yl-acetic acid ethyl ester,ethyl 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrazole-1-acetate,ethyl 2-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyrazol-1-yl acetate,pubchem18443,1h-pyrazole-1-acetic acid,4-4,4,5,5-tetramethyl-1 PubChem CID: 16218385 IUPAC Name: ethyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetate SMILES: CCOC(=O)CN1C=C(C=N1)B1OC(C)(C)C(C)(C)O1

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Specifications

PubChem CID	16218385
CAS	864754-16-5
Molecular Weight (g/mol)	280.13
MDL Number	MFCD08706026
SMILES	CCOC(=O)CN1C=C(C=N1)B1OC(C)(C)C(C)(C)O1
Synonym	ethyl 2-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrazol-1-yl acetate,1-ethoxycarbonylmethyl-1h-pyrazole-4-boronic acid pinacol ester,1-ethoxycarbonylmethyl-1h-pyrazole-4-boronic acid, pinacol ester,1-ethoxycarbonylmethyl pyrazole-4-boronic acid pinacol ester,4-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-pyrazol-1-yl-acetic acid ethyl ester,ethyl 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-pyrazole-1-acetate,ethyl 2-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyrazol-1-yl acetate,pubchem18443,1h-pyrazole-1-acetic acid,4-4,4,5,5-tetramethyl-1
IUPAC Name	ethyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]acetate
InChI Key	YUEZJHOSHBTWPV-UHFFFAOYSA-N
Molecular Formula	C13H21BN2O4

2,170

Cyclopentadienylmolybdenum(V) tetrachloride, 95%, Thermo Scientific Chemicals

CAS: 62927-99-5 MDL Number: MFCD00269826 Synonym: Tetrachlorocyclopentadienylmolybdenum(V)

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Specifications

CAS	62927-99-5
MDL Number	MFCD00269826
Synonym	Tetrachlorocyclopentadienylmolybdenum(V)

2,171

D-myo-Inositol-1,4,5-trisphosphate sodium salt, 98%, Thermo Scientific Chemicals

MDL Number: MFCD00055051 Synonym: Ins(1,4,5)P3 sodium salt; 1,4,5-IP3 sodium salt

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Specifications

MDL Number	MFCD00055051
Synonym	Ins(1,4,5)P3 sodium salt; 1,4,5-IP3 sodium salt

2,172

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3-Amino-2-cyclohexen-1-one, 95%, Thermo Scientific™

CAS: 5220-49-5 Molecular Formula: C6H9NO Molecular Weight (g/mol): 111.14 MDL Number: MFCD00013783 InChI Key: ZZMRPOAHZITKBV-UHFFFAOYSA-N Synonym: 3-amino-2-cyclohexen-1-one,3-aminocyclohex-2-enone,2-cyclohexen-1-one, 3-amino,unii-v596547zke,3-amino-2-cyclohexen-1-ketone,3-amino-2-cyclohexenone,3-aminocyclohexenone,3-aminocyclohex-enone,pubchem14449,acmc-209kyd PubChem CID: 78892 IUPAC Name: 3-aminocyclohex-2-en-1-one SMILES: NC1=CC(=O)CCC1

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Specifications

PubChem CID	78892
CAS	5220-49-5
Molecular Weight (g/mol)	111.14
MDL Number	MFCD00013783
SMILES	NC1=CC(=O)CCC1
Synonym	3-amino-2-cyclohexen-1-one,3-aminocyclohex-2-enone,2-cyclohexen-1-one, 3-amino,unii-v596547zke,3-amino-2-cyclohexen-1-ketone,3-amino-2-cyclohexenone,3-aminocyclohexenone,3-aminocyclohex-enone,pubchem14449,acmc-209kyd
IUPAC Name	3-aminocyclohex-2-en-1-one
InChI Key	ZZMRPOAHZITKBV-UHFFFAOYSA-N
Molecular Formula	C6H9NO

2,173

Palladium nitrate & Magnesium nitrate, Matrix Modifier Solution, Specpure™

Molecular Formula: 0.1% Pd and 0.06% Mg(NO₃)₂ in 2% HNO₃ MDL Number: MFCD09910543

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Specifications

MDL Number	MFCD09910543
Molecular Formula	0.1% Pd and 0.06% Mg(NO₃)₂ in 2% HNO₃

2,174

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(R,R)-(-)-N,N'-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediaminocobalt(II), 98%

CAS: 176763-62-5 Molecular Formula: C₃₆H₅₂CoN₂O₂ Molecular Weight (g/mol): 603.76 MDL Number: MFCD01631277 InChI Key: XJWCTQVLJVAWMC-FAZMKCLSSA-N Synonym: r,r-n,n'-bis 3,5-di-tert-butylsalicylidene-1,2-cyclohexanediaminocobalt ii PubChem CID: 126963446 IUPAC Name: cobalt;2,4-ditert-butyl-6-[[[(1R,2S)-2-[(3,5-ditert-butyl-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one SMILES: CC(C)(C)C1=CC(=CNC2CCCCC2NC=C3C=C(C=C(C3=O)C(C)(C)C)C(C)(C)C)C(=O)C(=C1)C(C)(C)C.[Co]

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Specifications

PubChem CID	126963446
CAS	176763-62-5
Molecular Weight (g/mol)	603.76
MDL Number	MFCD01631277
SMILES	CC(C)(C)C1=CC(=CNC2CCCCC2NC=C3C=C(C=C(C3=O)C(C)(C)C)C(C)(C)C)C(=O)C(=C1)C(C)(C)C.[Co]
Synonym	r,r-n,n'-bis 3,5-di-tert-butylsalicylidene-1,2-cyclohexanediaminocobalt ii
IUPAC Name	cobalt;2,4-ditert-butyl-6-[[[(1R,2S)-2-[(3,5-ditert-butyl-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one
InChI Key	XJWCTQVLJVAWMC-FAZMKCLSSA-N
Molecular Formula	C₃₆H₅₂CoN₂O₂

2,175

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2,3,4,6-Tetra-O-acetyl-alpha-D-glucopyranosyl bromide, 98.5%

CAS: 572-09-8 Molecular Formula: C14H19BrO9 Molecular Weight (g/mol): 411.20 MDL Number: MFCD00063254 InChI Key: CYAYKKUWALRRPA-HAGGZJDPNA-N Synonym: 2,3,4,6-tetra-o-acetyl-alpha-d-glucopyranosyl bromide,acetobromglucose,acetobromoglucose,acetobromo-alpha-d-glucose,a-acetobromglucose,acetobromo glucose,2,3,4,6-tetra-o-acetyl-,a-d-glucopyranosyl bromide,2r,3r,4s,5r,6r-3,4,5-tris acetyloxy-6-bromooxan-2-yl methyl acetate,2r,3r,4s,5r,6r-3,4,5-triacetyloxy-6-bromooxan-2-yl methyl acetate,2,3,4,6-tetra-o-acetyl-alpha-d-glucopyranosyl bromide, stab. with calcium carbonate PubChem CID: 101776 IUPAC Name: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-bromooxan-2-yl]methyl acetate SMILES: CC(=O)OC[C@H]1O[C@H](Br)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

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Specifications

PubChem CID	101776
CAS	572-09-8
Molecular Weight (g/mol)	411.20
MDL Number	MFCD00063254
SMILES	CC(=O)OC[C@H]1O[C@H](Br)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
Synonym	2,3,4,6-tetra-o-acetyl-alpha-d-glucopyranosyl bromide,acetobromglucose,acetobromoglucose,acetobromo-alpha-d-glucose,a-acetobromglucose,acetobromo glucose,2,3,4,6-tetra-o-acetyl-,a-d-glucopyranosyl bromide,2r,3r,4s,5r,6r-3,4,5-tris acetyloxy-6-bromooxan-2-yl methyl acetate,2r,3r,4s,5r,6r-3,4,5-triacetyloxy-6-bromooxan-2-yl methyl acetate,2,3,4,6-tetra-o-acetyl-alpha-d-glucopyranosyl bromide, stab. with calcium carbonate
IUPAC Name	[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-bromooxan-2-yl]methyl acetate
InChI Key	CYAYKKUWALRRPA-HAGGZJDPNA-N
Molecular Formula	C14H19BrO9

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