Unclassified Organic Compounds

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1,141 – 1,155 of 188,102 results

1,141

Methyl Benzethonium chloride, MP Biomedicals™

CAS: 25155-18-4 Molecular Formula: C28H44ClNO2 Molecular Weight (g/mol): 462.115 InChI Key: QWZLBLDNRUUYQI-UHFFFAOYSA-M PubChem CID: 5702238 IUPAC Name: benzyl-dimethyl-[2-[2-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium;chloride SMILES: CC1=C(C=CC(=C1)C(C)(C)CC(C)(C)C)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-]

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Specifications

PubChem CID	5702238
CAS	25155-18-4
Molecular Weight (g/mol)	462.115
SMILES	CC1=C(C=CC(=C1)C(C)(C)CC(C)(C)C)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-]
IUPAC Name	benzyl-dimethyl-[2-[2-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium;chloride
InChI Key	QWZLBLDNRUUYQI-UHFFFAOYSA-M
Molecular Formula	C28H44ClNO2

1,142

4-[2-(N,N-Dimethylamino)ethylaminosulfonyl]-7-(2-aminoethylamino)-2,1,3-benzoxadiazole, ≥95.0% (HPLC), MilliporeSigma™ Supelco™

MDL Number: MFCD21363128 Synonym: 4-[2-(N,N-Dimethylamino)ethylsulfamoyl]-7-(2-aminoethylamino)benzofurazan; 7-[(2-Aminoethyl)amino]-N-[2-(dimethylamino)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide; DAABD-AE

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Specifications

MDL Number	MFCD21363128
Synonym	4-[2-(N,N-Dimethylamino)ethylsulfamoyl]-7-(2-aminoethylamino)benzofurazan; 7-[(2-Aminoethyl)amino]-N-[2-(dimethylamino)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide; DAABD-AE

1,143

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Methyl (+)-4-Boc-piperazine-2-carboxylate

CAS: 129799-08-2 Molecular Formula: C11H21N2O4 Molecular Weight (g/mol): 245.30 MDL Number: MFCD01632465,MFCD04115325,MFCD04115326 InChI Key: QUKAHFCVKNRRBU-QMMMGPOBSA-O Synonym: methyl 4-boc-piperazine-2-carboxylate,1-tert-butyl 3-methyl piperazine-1,3-dicarboxylate,n-4-boc-2-piperazinecarboxylic acid methyl ester,1-n-boc-piperazine-3-carboxylic acid methyl ester,4n-boc-piperazine-2-carboxylic acid methyl ester,piperazine-1,3-dicarboxylic acid 1-tert-butyl ester 3-methyl ester,1,3-piperazinedicarboxylic acid, 1-1,1-dimethylethyl 3-methyl ester,1-n-boc-piperazine-3-carboxylic acid methyl ester; piperazine-1,3-dicarboxylic acid 1-tert-butyl ester 3-methyl ester,tert-butyl 3-methoxycarbonyl piperazinecarboxylate,pubchem18338 PubChem CID: 2756819 IUPAC Name: 1-O-tert-butyl 3-O-methyl piperazine-1,3-dicarboxylate SMILES: COC(=O)[C@@H]1CN(CC[NH2+]1)C(=O)OC(C)(C)C

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Specifications

PubChem CID	2756819
CAS	129799-08-2
Molecular Weight (g/mol)	245.30
MDL Number	MFCD01632465,MFCD04115325,MFCD04115326
SMILES	COC(=O)[C@@H]1CN(CC[NH2+]1)C(=O)OC(C)(C)C
Synonym	methyl 4-boc-piperazine-2-carboxylate,1-tert-butyl 3-methyl piperazine-1,3-dicarboxylate,n-4-boc-2-piperazinecarboxylic acid methyl ester,1-n-boc-piperazine-3-carboxylic acid methyl ester,4n-boc-piperazine-2-carboxylic acid methyl ester,piperazine-1,3-dicarboxylic acid 1-tert-butyl ester 3-methyl ester,1,3-piperazinedicarboxylic acid, 1-1,1-dimethylethyl 3-methyl ester,1-n-boc-piperazine-3-carboxylic acid methyl ester; piperazine-1,3-dicarboxylic acid 1-tert-butyl ester 3-methyl ester,tert-butyl 3-methoxycarbonyl piperazinecarboxylate,pubchem18338
IUPAC Name	1-O-tert-butyl 3-O-methyl piperazine-1,3-dicarboxylate
InChI Key	QUKAHFCVKNRRBU-QMMMGPOBSA-O
Molecular Formula	C11H21N2O4

1,144

Prostaglandin I(2) sodium salt, 100%, MP Biomedicals™

CAS: 61849-14-7 Molecular Formula: C20H31NaO5 Molecular Weight (g/mol): 374.453 InChI Key: LMHIPJMTZHDKEW-HIHHSTLZSA-M Synonym: Prostacycline,PG-I2 PubChem CID: 133687047 IUPAC Name: sodium;(5Z)-5-[(3aS,4S,5S,6aR)-5-hydroxy-4-[(E,3R)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoate SMILES: CCCCCC(C=CC1C(CC2C1CC(=CCCCC(=O)[O-])O2)O)O.[Na+]

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Specifications

PubChem CID	133687047
CAS	61849-14-7
Molecular Weight (g/mol)	374.453
SMILES	CCCCCC(C=CC1C(CC2C1CC(=CCCCC(=O)[O-])O2)O)O.[Na+]
Synonym	Prostacycline,PG-I2
IUPAC Name	sodium;(5Z)-5-[(3aS,4S,5S,6aR)-5-hydroxy-4-[(E,3R)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoate
InChI Key	LMHIPJMTZHDKEW-HIHHSTLZSA-M
Molecular Formula	C20H31NaO5

1,145

D(-)-Glutamic acid, 99+%

CAS: 6893-26-1 Molecular Weight (g/mol): 147.13 MDL Number: MFCD00063112 InChI Key: WHUUTDBJXJRKMK-GSVOUGTGSA-N Synonym: d-glutamic acid,h-d-glu-oh,d-glu,r-2-aminopentanedioic acid,2r-2-aminopentanedioic acid,d-glutamate,d-2-aminopentanedioic acid,glutamic acid d-form,d--glutamic acid,d-glutaminic acid PubChem CID: 23327 ChEBI: CHEBI:15966 IUPAC Name: (2R)-2-aminopentanedioic acid SMILES: C(CC(=O)O)C(C(=O)O)N

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Specifications

PubChem CID	23327
CAS	6893-26-1
Molecular Weight (g/mol)	147.13
ChEBI	CHEBI:15966
MDL Number	MFCD00063112
SMILES	C(CC(=O)O)C(C(=O)O)N
Synonym	d-glutamic acid,h-d-glu-oh,d-glu,r-2-aminopentanedioic acid,2r-2-aminopentanedioic acid,d-glutamate,d-2-aminopentanedioic acid,glutamic acid d-form,d--glutamic acid,d-glutaminic acid
IUPAC Name	(2R)-2-aminopentanedioic acid
InChI Key	WHUUTDBJXJRKMK-GSVOUGTGSA-N

1,146

tert-butyl 3-endo-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate, Thermo Scientific™

CAS: 143557-91-9 Molecular Formula: C12H21NO3 Molecular Weight (g/mol): 227.304 MDL Number: MFCD09966165 InChI Key: SEGZJJSZYOEABC-IDKOKCKLSA-N PubChem CID: 58414652 IUPAC Name: tert-butyl (5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate SMILES: CC(C)(C)OC(=O)N1C2CCC1CC(C2)O

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Specifications

PubChem CID	58414652
CAS	143557-91-9
Molecular Weight (g/mol)	227.304
MDL Number	MFCD09966165
SMILES	CC(C)(C)OC(=O)N1C2CCC1CC(C2)O
IUPAC Name	tert-butyl (5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
InChI Key	SEGZJJSZYOEABC-IDKOKCKLSA-N
Molecular Formula	C12H21NO3

1,147

3-Amino-4-[(1-benzyl-2-methoxy-2-oxoethyl)amino]-4-oxobutanoic acid, 97%, Thermo Scientific™

CAS: 25548-16-7 Molecular Formula: C14H18N2O5 Molecular Weight (g/mol): 294.31 MDL Number: MFCD00176858 InChI Key: IAOZJIPTCAWIRG-UHFFFAOYNA-N Synonym: aminosweet,equal,tri-sweet,3-amino-4-1-benzyl-2-methoxy-2-oxoethyl amino-4-oxobutanoic acid,canderel,sweet dipeptide,aspartame usan:ban:inn,methyl alpha-aspartylphenylalaninate,phenylalanine,a-aspartyl-, 2-methyl ester,sanecta PubChem CID: 2242 SMILES: COC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)CC(O)=O

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Specifications

PubChem CID	2242
CAS	25548-16-7
Molecular Weight (g/mol)	294.31
MDL Number	MFCD00176858
SMILES	COC(=O)C(CC1=CC=CC=C1)NC(=O)C(N)CC(O)=O
Synonym	aminosweet,equal,tri-sweet,3-amino-4-1-benzyl-2-methoxy-2-oxoethyl amino-4-oxobutanoic acid,canderel,sweet dipeptide,aspartame usan:ban:inn,methyl alpha-aspartylphenylalaninate,phenylalanine,a-aspartyl-, 2-methyl ester,sanecta
InChI Key	IAOZJIPTCAWIRG-UHFFFAOYNA-N
Molecular Formula	C14H18N2O5

1,148

Methotrexate, USP and EP Grade, MP Biomedicals™

CAS: 59-05-2 Molecular Formula: C20H22N8O5 Molecular Weight (g/mol): 454.447 MDL Number: MFCD00150847 InChI Key: FBOZXECLQNJBKD-ZDUSSCGKSA-N Synonym: methotrexate,abitrexate,rheumatrex,amethopterin,mexate,metatrexan,hdmtx,trexall,methylaminopterinum,antifolan PubChem CID: 126941 ChEBI: CHEBI:44185 IUPAC Name: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid SMILES: CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

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Specifications

PubChem CID	126941
CAS	59-05-2
Molecular Weight (g/mol)	454.447
ChEBI	CHEBI:44185
MDL Number	MFCD00150847
SMILES	CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O
Synonym	methotrexate,abitrexate,rheumatrex,amethopterin,mexate,metatrexan,hdmtx,trexall,methylaminopterinum,antifolan
IUPAC Name	(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
InChI Key	FBOZXECLQNJBKD-ZDUSSCGKSA-N
Molecular Formula	C20H22N8O5

1,149

LiChropur™ Sodium tetrapropylborate, ≥85.0% (T), MilliporeSigma™ Supelco™

MDL Number: MFCD04972612

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Specifications

MDL Number	MFCD04972612

1,150

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Thermo Scientific Chemicals Ginsenoside Rb1

CAS: 41753-43-9 Molecular Formula: C54H92O23 Molecular Weight (g/mol): 1109.31 InChI Key: GZYPWOGIYAIIPV-NGBMAODDSA-N IUPAC Name: (2S,3R,4S,5S,6R)-2-({2-[(1S,3aR,3bR,5aR,7S,9aR,9bR,11R,11aR)-7-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-11-hydroxy-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-en-2-yl}oxy)-6-({[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol SMILES: CC(C)=CCCC(C)(O[C@@H]1O[C@H](COC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@@]21C

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Specifications

CAS	41753-43-9
Molecular Weight (g/mol)	1109.31
SMILES	CC(C)=CCCC(C)(O[C@@H]1O[C@H](COC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@@]21C
IUPAC Name	(2S,3R,4S,5S,6R)-2-({2-[(1S,3aR,3bR,5aR,7S,9aR,9bR,11R,11aR)-7-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-11-hydroxy-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-en-2-yl}oxy)-6-({[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol
InChI Key	GZYPWOGIYAIIPV-NGBMAODDSA-N
Molecular Formula	C54H92O23

1,151

Spermine dihydrate, ≥99.5% (GC), MilliporeSigma™ Supelco™

MDL Number: MFCD01459904 Synonym: Gerontine; Musculamine; N,N′-Bis(3-aminopropyl)-1,4-diaminobutane; Neuridine

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Specifications

MDL Number	MFCD01459904
Synonym	Gerontine; Musculamine; N,N′-Bis(3-aminopropyl)-1,4-diaminobutane; Neuridine

1,152

Selectophore™ Tetrahydrofuran, For ion-selective electrodes, ≥99.5%, MilliporeSigma™ Supelco™

MDL Number: MFCD00005356 Synonym: THF; Butylene oxide; Oxolane; Tetramethylene oxide

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Specifications

MDL Number	MFCD00005356
Synonym	THF; Butylene oxide; Oxolane; Tetramethylene oxide

1,153

4-Bromo-N-Fmoc-L-phenylalanine, 95%

CAS: 198561-04-5 Molecular Formula: C24H20BrNO4 Molecular Weight (g/mol): 466.33 MDL Number: MFCD00273460 InChI Key: TVBAVBWXRDHONF-QFIPXVFZSA-N Synonym: fmoc-l-4-bromophenylalanine,s-n-fmoc-4-bromophenylalanine,fmoc-phe 4-br-oh,fmoc-4-bromo-l-phenylalanine,fmoc-l-4-br-phe-oh,fmoc-p-bromo-phe-oh,fmoc-d-4-bromophenylalanine,fmoc-l-4-bromophe,fmoc-l-phe 4-br-oh,fmoc-4'-bromo-l-phe PubChem CID: 2734449 SMILES: OC(=O)[C@H](CC1=CC=C(Br)C=C1)NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12

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Specifications

PubChem CID	2734449
CAS	198561-04-5
Molecular Weight (g/mol)	466.33
MDL Number	MFCD00273460
SMILES	OC(=O)[C@H](CC1=CC=C(Br)C=C1)NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12
Synonym	fmoc-l-4-bromophenylalanine,s-n-fmoc-4-bromophenylalanine,fmoc-phe 4-br-oh,fmoc-4-bromo-l-phenylalanine,fmoc-l-4-br-phe-oh,fmoc-p-bromo-phe-oh,fmoc-d-4-bromophenylalanine,fmoc-l-4-bromophe,fmoc-l-phe 4-br-oh,fmoc-4'-bromo-l-phe
InChI Key	TVBAVBWXRDHONF-QFIPXVFZSA-N
Molecular Formula	C24H20BrNO4

1,154

DL-Homoserine lactone hydrobromide, MP Biomedicals™

CAS: 6305-38-0 Molecular Formula: C4H8BrNO2 Molecular Weight (g/mol): 182.017 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)	182.017
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	C4H8BrNO2

1,155

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N-Benzyloxycarbonyl-L-valine, 99%

CAS: 1149-26-4 Molecular Formula: C13H17NO4 Molecular Weight (g/mol): 251.28 MDL Number: MFCD00008922 InChI Key: CANZBRDGRHNSGZ-NSHDSACASA-N Synonym: n-carbobenzyloxy-l-valine,n-cbz-l-valine,z-val-oh,cbz-l-valine,n-benzyloxycarbonyl-l-valine,n-carbobenzoxy-l-valine,z-l-val-oh,carbobenzoxy-l-valine,z-valine,carbobenzyloxy-l-valine PubChem CID: 726987 IUPAC Name: (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid SMILES: CC(C)[C@H](NC(=O)OCC1=CC=CC=C1)C(O)=O

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Specifications

PubChem CID	726987
CAS	1149-26-4
Molecular Weight (g/mol)	251.28
MDL Number	MFCD00008922
SMILES	CC(C)[C@H](NC(=O)OCC1=CC=CC=C1)C(O)=O
Synonym	n-carbobenzyloxy-l-valine,n-cbz-l-valine,z-val-oh,cbz-l-valine,n-benzyloxycarbonyl-l-valine,n-carbobenzoxy-l-valine,z-l-val-oh,carbobenzoxy-l-valine,z-valine,carbobenzyloxy-l-valine
IUPAC Name	(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid
InChI Key	CANZBRDGRHNSGZ-NSHDSACASA-N
Molecular Formula	C13H17NO4

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