Unclassified Organic Compounds

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

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1,126 – 1,140 of 202,914 results

1,126

Thermo Scientific Chemicals Oxybutynin hydrochloride

CAS: 1508-65-2 Molecular Weight (g/mol): 393.95 InChI Key: SWIJYDAEGSIQPZ-UHFFFAOYNA-N IUPAC Name: 4-(diethylamino)but-2-yn-1-yl 2-cyclohexyl-2-hydroxy-2-phenylacetate hydrochloride SMILES: Cl.CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)C1=CC=CC=C1

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Specifications

CAS	1508-65-2
Molecular Weight (g/mol)	393.95
SMILES	Cl.CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)C1=CC=CC=C1
IUPAC Name	4-(diethylamino)but-2-yn-1-yl 2-cyclohexyl-2-hydroxy-2-phenylacetate hydrochloride
InChI Key	SWIJYDAEGSIQPZ-UHFFFAOYNA-N

1,127

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(tert-Butoxycarbonylmethylene)triphenylphosphorane, 98%

CAS: 35000-38-5 Molecular Formula: C24H25O2P Molecular Weight (g/mol): 376.44 MDL Number: MFCD00075545 InChI Key: ZWZUFQPXYVYAFO-UHFFFAOYSA-N Synonym: tert-butyl 2-triphenylphosphoranylidene acetate,tert-butoxycarbonylmethylene triphenylphosphorane,tert-butyl triphenylphosphoranylidene acetate,acetic acid, triphenylphosphoranylidene-, 1,1-dimethylethyl ester,t-butoxycarbonylmethylene triphenylphosphorane,tert-butyl 2-triphenyl-??-phosphanylidene acetate,triphenylthoranylidene acetic acid 1,1-dimethylethyl ester,pubchem14371,tert-butyl 2-triphenyl,tert-butyl 2-triphenylylidene acetate PubChem CID: 256127 IUPAC Name: tert-butyl 2-(triphenyl-$l^{5}-phosphanylidene)acetate SMILES: CC(C)(C)OC(=O)C=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	256127
CAS	35000-38-5
Molecular Weight (g/mol)	376.44
MDL Number	MFCD00075545
SMILES	CC(C)(C)OC(=O)C=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	tert-butyl 2-triphenylphosphoranylidene acetate,tert-butoxycarbonylmethylene triphenylphosphorane,tert-butyl triphenylphosphoranylidene acetate,acetic acid, triphenylphosphoranylidene-, 1,1-dimethylethyl ester,t-butoxycarbonylmethylene triphenylphosphorane,tert-butyl 2-triphenyl-??-phosphanylidene acetate,triphenylthoranylidene acetic acid 1,1-dimethylethyl ester,pubchem14371,tert-butyl 2-triphenyl,tert-butyl 2-triphenylylidene acetate
IUPAC Name	tert-butyl 2-(triphenyl-$l^{5}-phosphanylidene)acetate
InChI Key	ZWZUFQPXYVYAFO-UHFFFAOYSA-N
Molecular Formula	C24H25O2P

1,128

Beta-Nicotinamide Adenine Dinucleotide Reduced Disodium Salt MP Biomedicals

CAS: 606-68-8 Molecular Formula: C21H27N7Na2O14P2 Molecular Weight (g/mol): 709.41 MDL Number: MFCD00036200 InChI Key: QRGNQKGQENGQSE-WUEGHLCSSA-L Synonym: beta-nadh disodium salt PubChem CID: 131673989 IUPAC Name: disodium [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl ({[(2R,3S,4R,5R)-5-(3-carbamoyl-1,4-dihydropyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy)phosphonate SMILES: [Na+].[Na+].NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O

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Specifications

PubChem CID	131673989
CAS	606-68-8
Molecular Weight (g/mol)	709.41
MDL Number	MFCD00036200
SMILES	[Na+].[Na+].NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O
Synonym	beta-nadh disodium salt
IUPAC Name	disodium [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl ({[(2R,3S,4R,5R)-5-(3-carbamoyl-1,4-dihydropyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy)phosphonate
InChI Key	QRGNQKGQENGQSE-WUEGHLCSSA-L
Molecular Formula	C21H27N7Na2O14P2

1,129

(+/-)-alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid

CAS: 74341-63-2 Molecular Formula: C7H10N2O4 Molecular Weight (g/mol): 186.167 MDL Number: MFCD00213388 InChI Key: UUDAMDVQRQNNHZ-UHFFFAOYSA-N Synonym: ampa,r,s-ampa,ampa pharmaceutical,alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid,rs-ampa,+/--ampa,chembl13378,d,l-alpha-amino-3-hydroxy-5-methylisoxazole-4-propionic acid,r,s-alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid,4-isoxazolepropanoic acid, alpha-amino-2,3-dihydro-5-methyl-3-oxo PubChem CID: 1221 ChEBI: CHEBI:34018 IUPAC Name: 2-amino-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propanoic acid SMILES: CC1=C(C(=O)NO1)CC(C(=O)O)N

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Specifications

PubChem CID	1221
CAS	74341-63-2
Molecular Weight (g/mol)	186.167
ChEBI	CHEBI:34018
MDL Number	MFCD00213388
SMILES	CC1=C(C(=O)NO1)CC(C(=O)O)N
Synonym	ampa,r,s-ampa,ampa pharmaceutical,alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid,rs-ampa,+/--ampa,chembl13378,d,l-alpha-amino-3-hydroxy-5-methylisoxazole-4-propionic acid,r,s-alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid,4-isoxazolepropanoic acid, alpha-amino-2,3-dihydro-5-methyl-3-oxo
IUPAC Name	2-amino-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propanoic acid
InChI Key	UUDAMDVQRQNNHZ-UHFFFAOYSA-N
Molecular Formula	C7H10N2O4

1,130

Ethyl nitroacetate, 98%

CAS: 626-35-7 Molecular Formula: C₄H₇NO₄ Molecular Weight (g/mol): 133.1 InChI Key: FTKASJMIPSSXBP-UHFFFAOYSA-N Synonym: ethyl nitroacetate,nitroacetic acid ethyl ester,acetic acid, nitro-, ethyl ester,nitro ethyl acetate,ethylnitroacetate,acetic acid, 2-nitro-, ethyl ester,ethylnitroacetat,ethyinitroacetate,ethyl-2-nitroacetate,zlchem 269 PubChem CID: 69379 IUPAC Name: ethyl 2-nitroacetate SMILES: CCOC(=O)C[N+](=O)[O-]

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Specifications

PubChem CID	69379
CAS	626-35-7
Molecular Weight (g/mol)	133.1
SMILES	CCOC(=O)C[N+](=O)[O-]
Synonym	ethyl nitroacetate,nitroacetic acid ethyl ester,acetic acid, nitro-, ethyl ester,nitro ethyl acetate,ethylnitroacetate,acetic acid, 2-nitro-, ethyl ester,ethylnitroacetat,ethyinitroacetate,ethyl-2-nitroacetate,zlchem 269
IUPAC Name	ethyl 2-nitroacetate
InChI Key	FTKASJMIPSSXBP-UHFFFAOYSA-N
Molecular Formula	C₄H₇NO₄

1,131

Leupeptin Trifluoroacetate Salt, MP Biomedicals

CAS: 147385-61-3 Molecular Formula: C22H39F3N6O6 Molecular Weight (g/mol): 540.59 MDL Number: MFCD00133458 InChI Key: WUHGBZVQELGOMH-UHFFFAOYNA-N Synonym: leupeptin trifluoroacetate salt,n-5-carbamimidamido-1-oxopentan-2-yl-2-2-acetamido-4-methylpentanamido-4-methylpentanamide; trifluoroacetic acid,trifluoroacetic acid-n-acetylleucyl-n-5-diaminomethylidene amino-1-oxopentan-2-yl leucinamide 1/1 PubChem CID: 44134799 IUPAC Name: N-{5-[(diaminomethylidene)amino]-1-oxopentan-2-yl}-2-(2-acetamido-4-methylpentanamido)-4-methylpentanamide; trifluoroacetic acid SMILES: OC(=O)C(F)(F)F.CC(C)CC(NC(C)=O)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C=O

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Specifications

PubChem CID	44134799
CAS	147385-61-3
Molecular Weight (g/mol)	540.59
MDL Number	MFCD00133458
SMILES	OC(=O)C(F)(F)F.CC(C)CC(NC(C)=O)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C=O
Synonym	leupeptin trifluoroacetate salt,n-5-carbamimidamido-1-oxopentan-2-yl-2-2-acetamido-4-methylpentanamido-4-methylpentanamide; trifluoroacetic acid,trifluoroacetic acid-n-acetylleucyl-n-5-diaminomethylidene amino-1-oxopentan-2-yl leucinamide 1/1
IUPAC Name	N-{5-[(diaminomethylidene)amino]-1-oxopentan-2-yl}-2-(2-acetamido-4-methylpentanamido)-4-methylpentanamide; trifluoroacetic acid
InChI Key	WUHGBZVQELGOMH-UHFFFAOYNA-N
Molecular Formula	C22H39F3N6O6

1,132

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1,1'-Bis(diphenylphosphino)ferrocene, 97%, Thermo Scientific Chemicals

CAS: 12150-46-8 Molecular Formula: C34H28FeP2 Molecular Weight (g/mol): 554.39 MDL Number: MFCD00001422 InChI Key: KZPYGQFFRCFCPP-UHFFFAOYSA-N IUPAC Name: λ²-iron(2+) bis(1-(diphenylphosphanyl)cyclopenta-2,4-dien-1-ide) SMILES: [Fe].c1ccc(c1)P(C1=CC=CC=C1)C1=CC=CC=C1.c1ccc(c1)P(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

CAS	12150-46-8
Molecular Weight (g/mol)	554.39
MDL Number	MFCD00001422
SMILES	[Fe].c1ccc(c1)P(C1=CC=CC=C1)C1=CC=CC=C1.c1ccc(c1)P(C1=CC=CC=C1)C1=CC=CC=C1
IUPAC Name	λ²-iron(2+) bis(1-(diphenylphosphanyl)cyclopenta-2,4-dien-1-ide)
InChI Key	KZPYGQFFRCFCPP-UHFFFAOYSA-N
Molecular Formula	C34H28FeP2

1,133

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Thermo Scientific Chemicals L-Alanyl-L-glutamine, 97%

CAS: 39537-23-0 Molecular Formula: C8H15N3O4 Molecular Weight (g/mol): 217.23 MDL Number: MFCD00133046 InChI Key: HJCMDXDYPOUFDY-WHFBIAKZSA-N Synonym: l-alanyl-l-glutamine,ala-gln,alanyl-glutamine,alanyl glutamine,alanylglutamine,l-glutamine, l-alanyl,dipeptamin,h-ala-gln-oh,n 2-l-alanyl-l-glutamine,glutamax PubChem CID: 123935 ChEBI: CHEBI:73788 IUPAC Name: (2S)-5-amino-2-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoic acid SMILES: C[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(O)=O

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Specifications

PubChem CID	123935
CAS	39537-23-0
Molecular Weight (g/mol)	217.23
ChEBI	CHEBI:73788
MDL Number	MFCD00133046
SMILES	C[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(O)=O
Synonym	l-alanyl-l-glutamine,ala-gln,alanyl-glutamine,alanyl glutamine,alanylglutamine,l-glutamine, l-alanyl,dipeptamin,h-ala-gln-oh,n 2-l-alanyl-l-glutamine,glutamax
IUPAC Name	(2S)-5-amino-2-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoic acid
InChI Key	HJCMDXDYPOUFDY-WHFBIAKZSA-N
Molecular Formula	C8H15N3O4

1,134

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Glycine methyl ester hydrochloride, 98%

CAS: 5680-79-5 Molecular Formula: C3H8ClNO2 Molecular Weight (g/mol): 125.55 MDL Number: MFCD00012870 InChI Key: COQRGFWWJBEXRC-UHFFFAOYSA-N Synonym: glycine methyl ester hydrochloride,h-gly-ome.hcl,methyl 2-aminoacetate hydrochloride,methyl glycinate hydrochloride,glycine, methyl ester, hydrochloride,methyl glycinate hcl,methyl aminoacetate hydrochloride,glycine methyl ester hcl,glycine methyl ester hydrochloride salt,aminoacetic acid methyl ester hydrochloride PubChem CID: 122755 IUPAC Name: methyl 2-aminoacetate;hydrochloride SMILES: [H+].[Cl-].COC(=O)CN

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Specifications

PubChem CID	122755
CAS	5680-79-5
Molecular Weight (g/mol)	125.55
MDL Number	MFCD00012870
SMILES	[H+].[Cl-].COC(=O)CN
Synonym	glycine methyl ester hydrochloride,h-gly-ome.hcl,methyl 2-aminoacetate hydrochloride,methyl glycinate hydrochloride,glycine, methyl ester, hydrochloride,methyl glycinate hcl,methyl aminoacetate hydrochloride,glycine methyl ester hcl,glycine methyl ester hydrochloride salt,aminoacetic acid methyl ester hydrochloride
IUPAC Name	methyl 2-aminoacetate;hydrochloride
InChI Key	COQRGFWWJBEXRC-UHFFFAOYSA-N
Molecular Formula	C3H8ClNO2

1,135

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p-Xylylenediamine, Spectrum™ Chemical

CAS: 539-48-0

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Specifications

CAS	539-48-0

1,136

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4-Hydroxythiobenzamide, 98%

CAS: 25984-63-8 Molecular Formula: C7H7NOS Molecular Weight (g/mol): 153.20 MDL Number: MFCD04973332 InChI Key: DOCQBKMMNPJLOR-UHFFFAOYSA-N Synonym: 4-hydroxythiobenzamide,4-hydroxybenzothioamide,4-hydroxy thiobenzamide,4-hydroxybenzene-1-carbothioamide,4-hydroxybenzenecarbothioamide,benzenecarbothioamide, 4-hydroxy,4-hydroxy-thiobenzamide,4-aminothioxomethyl phenol,4-amino sulfanyl methylidene cyclohexa-2,5-dien-1-one,p-hydroxythiobenzamide PubChem CID: 5706487 IUPAC Name: 4-[amino(sulfanyl)methylidene]cyclohexa-2,5-dien-1-one SMILES: NC(S)=C1C=CC(=O)C=C1

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Specifications

PubChem CID	5706487
CAS	25984-63-8
Molecular Weight (g/mol)	153.20
MDL Number	MFCD04973332
SMILES	NC(S)=C1C=CC(=O)C=C1
Synonym	4-hydroxythiobenzamide,4-hydroxybenzothioamide,4-hydroxy thiobenzamide,4-hydroxybenzene-1-carbothioamide,4-hydroxybenzenecarbothioamide,benzenecarbothioamide, 4-hydroxy,4-hydroxy-thiobenzamide,4-aminothioxomethyl phenol,4-amino sulfanyl methylidene cyclohexa-2,5-dien-1-one,p-hydroxythiobenzamide
IUPAC Name	4-[amino(sulfanyl)methylidene]cyclohexa-2,5-dien-1-one
InChI Key	DOCQBKMMNPJLOR-UHFFFAOYSA-N
Molecular Formula	C7H7NOS

1,137

Acetylene-PEG4-maleimide

CAS: 1609651-90-2 Molecular Formula: C18H26N2O7 Molecular Weight (g/mol): 382.41 MDL Number: MFCD22380740 InChI Key: GHEBECZRHJXPTL-UHFFFAOYSA-N Synonym: acetylene-peg4-maleimide,propargyl-peg4-maleimide,alkyne-peg4-maleimide hplc PubChem CID: 91757777

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Specifications

PubChem CID	91757777
CAS	1609651-90-2
Molecular Weight (g/mol)	382.41
MDL Number	MFCD22380740
Synonym	acetylene-peg4-maleimide,propargyl-peg4-maleimide,alkyne-peg4-maleimide hplc
InChI Key	GHEBECZRHJXPTL-UHFFFAOYSA-N
Molecular Formula	C18H26N2O7

1,138

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

1,139

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tert-Butyl 3-oxocyclobutanecarboxylate, 97%

CAS: 145549-76-4 Molecular Formula: C9H14O3 Molecular Weight (g/mol): 170.208 MDL Number: MFCD12827541 InChI Key: JINYZTGTQXDUQR-UHFFFAOYSA-N Synonym: tert-butyl 3-oxocyclobutanecarboxylate,3-oxo-cyclobutanecarboxylic acid tert-butyl ester,cyclobutanecarboxylic acid, 3-oxo-, 1,1-dimethylethyl ester,tert-butyl 3-oxo-cyclobutanecarboxylate,1-boc-cyclobutan-3-one,t-butyl 3-oxocyclobutanecarboxylate,3-tert-butyloxycarbonylcyclobutanone,tert-butyl3-oxocyclobutanecarboxylate,tert-butyl 3-oxocyclobutane carboxylate,t-butyl-3-oxocyclobutanecarboxylate PubChem CID: 10261520 IUPAC Name: tert-butyl 3-oxocyclobutane-1-carboxylate SMILES: CC(C)(C)OC(=O)C1CC(=O)C1

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Specifications

PubChem CID	10261520
CAS	145549-76-4
Molecular Weight (g/mol)	170.208
MDL Number	MFCD12827541
SMILES	CC(C)(C)OC(=O)C1CC(=O)C1
Synonym	tert-butyl 3-oxocyclobutanecarboxylate,3-oxo-cyclobutanecarboxylic acid tert-butyl ester,cyclobutanecarboxylic acid, 3-oxo-, 1,1-dimethylethyl ester,tert-butyl 3-oxo-cyclobutanecarboxylate,1-boc-cyclobutan-3-one,t-butyl 3-oxocyclobutanecarboxylate,3-tert-butyloxycarbonylcyclobutanone,tert-butyl3-oxocyclobutanecarboxylate,tert-butyl 3-oxocyclobutane carboxylate,t-butyl-3-oxocyclobutanecarboxylate
IUPAC Name	tert-butyl 3-oxocyclobutane-1-carboxylate
InChI Key	JINYZTGTQXDUQR-UHFFFAOYSA-N
Molecular Formula	C9H14O3

1,140

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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

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