Unclassified Organic Compounds

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

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526 – 540 of 179,426 results

526

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Stachyose hydrate, technical

CAS: 54261-98-2 Molecular Formula: C24H42O21 Molecular Weight (g/mol): 666.58 MDL Number: MFCD00149457 InChI Key: UQZIYBXSHAGNOE-CYDMKDQUNA-N PubChem CID: 131801001 SMILES: OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO[C@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O

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Specifications

PubChem CID	131801001
CAS	54261-98-2
Molecular Weight (g/mol)	666.58
MDL Number	MFCD00149457
SMILES	OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO[C@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
InChI Key	UQZIYBXSHAGNOE-CYDMKDQUNA-N
Molecular Formula	C24H42O21

527

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2,5-Dimethyl-p-benzoquinone, 99%

CAS: 137-18-8 Molecular Formula: C₈H₈O₂ Molecular Weight (g/mol): 136.15 MDL Number: MFCD00041737 InChI Key: MYKLQMNSFPAPLZ-UHFFFAOYSA-N Synonym: 2,5-dimethyl-1,4-benzoquinone,phlorone,p-xyloquinone,2,5-dimethyl-p-benzoquinone,2,5-xyloquinone,2,5-cyclohexadiene-1,4-dione, 2,5-dimethyl,2,5-dimethylquinone,floron,3,6-dimethyl-p-benzoquinone,floron czech PubChem CID: 8718 IUPAC Name: 2,5-dimethylcyclohexa-2,5-diene-1,4-dione SMILES: CC1=CC(=O)C(=CC1=O)C

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Specifications

PubChem CID	8718
CAS	137-18-8
Molecular Weight (g/mol)	136.15
MDL Number	MFCD00041737
SMILES	CC1=CC(=O)C(=CC1=O)C
Synonym	2,5-dimethyl-1,4-benzoquinone,phlorone,p-xyloquinone,2,5-dimethyl-p-benzoquinone,2,5-xyloquinone,2,5-cyclohexadiene-1,4-dione, 2,5-dimethyl,2,5-dimethylquinone,floron,3,6-dimethyl-p-benzoquinone,floron czech
IUPAC Name	2,5-dimethylcyclohexa-2,5-diene-1,4-dione
InChI Key	MYKLQMNSFPAPLZ-UHFFFAOYSA-N
Molecular Formula	C₈H₈O₂

528

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Diphenyl methylphenyl phosphate, mixture of isomers, 94%

CAS: 26444-49-5 MDL Number: MFCD00014920 Synonym: Phosphoric acid diphenyl methylphenyl ester; Cresyl diphenyl phosphate

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Specifications

CAS	26444-49-5
MDL Number	MFCD00014920
Synonym	Phosphoric acid diphenyl methylphenyl ester; Cresyl diphenyl phosphate

529

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2-Chloro-1,3-dimethylimidazolium tetrafluoroborate, 98+%, Thermo Scientific Chemicals

CAS: 153433-26-2 Molecular Formula: C5H10BClF4N2 Molecular Weight (g/mol): 220.40 MDL Number: MFCD09039291 InChI Key: UPLXKEIRISBKRM-UHFFFAOYSA-N Synonym: CIB IUPAC Name: 2-chloro-1,3-dimethyl-4,5-dihydro-1H-imidazol-3-ium; tetrafluoroboranuide SMILES: F[B-](F)(F)F.CN1CC[N+](C)=C1Cl

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Specifications

CAS	153433-26-2
Molecular Weight (g/mol)	220.40
MDL Number	MFCD09039291
SMILES	F[B-](F)(F)F.CN1CC[N+](C)=C1Cl
Synonym	CIB
IUPAC Name	2-chloro-1,3-dimethyl-4,5-dihydro-1H-imidazol-3-ium; tetrafluoroboranuide
InChI Key	UPLXKEIRISBKRM-UHFFFAOYSA-N
Molecular Formula	C5H10BClF4N2

530

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Melphalan, 94%

CAS: 148-82-3 Molecular Formula: C₁₃H₁₈Cl₂N₂O₂ Molecular Weight (g/mol): 305.2 InChI Key: SGDBTWWWUNNDEQ-LBPRGKRZSA-N Synonym: melphalan,alkeran,melfalan,phenylalanine mustard,l-sarcolysine,l-pam,l-sarcolysin,l-phenylalanine mustard,levofalan,p-l-sarcolysin PubChem CID: 460612 ChEBI: CHEBI:28876 IUPAC Name: (2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid SMILES: C1=CC(=CC=C1CC(C(=O)O)N)N(CCCl)CCCl

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Specifications

PubChem CID	460612
CAS	148-82-3
Molecular Weight (g/mol)	305.2
ChEBI	CHEBI:28876
SMILES	C1=CC(=CC=C1CC(C(=O)O)N)N(CCCl)CCCl
Synonym	melphalan,alkeran,melfalan,phenylalanine mustard,l-sarcolysine,l-pam,l-sarcolysin,l-phenylalanine mustard,levofalan,p-l-sarcolysin
IUPAC Name	(2S)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid
InChI Key	SGDBTWWWUNNDEQ-LBPRGKRZSA-N
Molecular Formula	C₁₃H₁₈Cl₂N₂O₂

531

Thermo Scientific Chemicals Nalpha-4-Tosyl-L-arginine methyl ester hydrochloride, 98+%

CAS: 1784-03-8 Molecular Formula: C₁₄H₂₂N₄O₄S·HCl Molecular Weight (g/mol): 378.88 MDL Number: MFCD00012578 InChI Key: JIQFFACVQXXHMY-YDALLXLXSA-N Synonym: tos-arg-ome.hcl,tame hydrochloride,tos-arg-ome hcl,nalpha-tosyl-l-arginine methyl ester hydrochloride,nalpha-p-tosyl-l-arginine methyl ester hydrochloride,nalpha-p-toluenesulfonyl-l-arginine methyl ester hydrochloride,tos-arg-omehcl,s-methyl 5-guanidino-2-4-methylphenylsulfonamido pentanoate hydrochloride,tosyl-l-arginine methyl ester hydrochloride,n-4-tosyl-l-arginine methyl ester hydrochloride PubChem CID: 2723792 IUPAC Name: methyl (2S)-5-(diaminomethylideneamino)-2-[(4-methylphenyl)sulfonylamino]pentanoate;hydrochloride SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(CCCN=C(N)N)C(=O)OC.Cl

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Specifications

PubChem CID	2723792
CAS	1784-03-8
Molecular Weight (g/mol)	378.88
MDL Number	MFCD00012578
SMILES	CC1=CC=C(C=C1)S(=O)(=O)NC(CCCN=C(N)N)C(=O)OC.Cl
Synonym	tos-arg-ome.hcl,tame hydrochloride,tos-arg-ome hcl,nalpha-tosyl-l-arginine methyl ester hydrochloride,nalpha-p-tosyl-l-arginine methyl ester hydrochloride,nalpha-p-toluenesulfonyl-l-arginine methyl ester hydrochloride,tos-arg-omehcl,s-methyl 5-guanidino-2-4-methylphenylsulfonamido pentanoate hydrochloride,tosyl-l-arginine methyl ester hydrochloride,n-4-tosyl-l-arginine methyl ester hydrochloride
IUPAC Name	methyl (2S)-5-(diaminomethylideneamino)-2-[(4-methylphenyl)sulfonylamino]pentanoate;hydrochloride
InChI Key	JIQFFACVQXXHMY-YDALLXLXSA-N
Molecular Formula	C₁₄H₂₂N₄O₄S·HCl

532

N-Boc-4-nitro-L-phenylalanine, 95%

CAS: 33305-77-0 Molecular Formula: C14H18N2O6 Molecular Weight (g/mol): 310.306 MDL Number: MFCD00038128 InChI Key: XBQADBXCNQPHHY-NSHDSACASA-N Synonym: boc-4-nitro-l-phenylalanine,boc-phe 4-no2-oh,boc-l-4-nitrophenylalanine,boc-l-4-nitrophe,n-boc-4-nitro-l-phenylalanine,s-2-tert-butoxycarbonyl amino-3-4-nitrophenyl propanoic acid,boc-l-4-no2-phe-oh,2s-2-tert-butoxycarbonyl amino-3-4-nitrophenyl propanoic acid,n-tert-butoxycarbonyl-4-nitro-l-phenylalanine,2s-2-tert-butoxy carbonyl amino-3-4-nitrophenyl propanoic acid PubChem CID: 7021882 SMILES: CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)O

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Specifications

PubChem CID	7021882
CAS	33305-77-0
Molecular Weight (g/mol)	310.306
MDL Number	MFCD00038128
SMILES	CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)O
Synonym	boc-4-nitro-l-phenylalanine,boc-phe 4-no2-oh,boc-l-4-nitrophenylalanine,boc-l-4-nitrophe,n-boc-4-nitro-l-phenylalanine,s-2-tert-butoxycarbonyl amino-3-4-nitrophenyl propanoic acid,boc-l-4-no2-phe-oh,2s-2-tert-butoxycarbonyl amino-3-4-nitrophenyl propanoic acid,n-tert-butoxycarbonyl-4-nitro-l-phenylalanine,2s-2-tert-butoxy carbonyl amino-3-4-nitrophenyl propanoic acid
InChI Key	XBQADBXCNQPHHY-NSHDSACASA-N
Molecular Formula	C14H18N2O6

533

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Stevioside

CAS: 57817-89-7 Molecular Formula: C₃₈H₆₀O₁₈ Molecular Weight (g/mol): 804.88 InChI Key: UEDUENGHJMELGK-PEKONUEISA-N Synonym: stevioside PubChem CID: 134129657 SMILES: CC12CCCC(C1CCC34C2CCC(C3)(C(=C)C4)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)(C)C(=O)OC7C(C(C(C(O7)CO)O)O)O

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Specifications

PubChem CID	134129657
CAS	57817-89-7
Molecular Weight (g/mol)	804.88
SMILES	CC12CCCC(C1CCC34C2CCC(C3)(C(=C)C4)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)(C)C(=O)OC7C(C(C(C(O7)CO)O)O)O
Synonym	stevioside
InChI Key	UEDUENGHJMELGK-PEKONUEISA-N
Molecular Formula	C₃₈H₆₀O₁₈

534

Selectophore™ Potassium ionophore III, Function Tested, MilliporeSigma™ Supelco™

MDL Number: MFCD00145150 Synonym: 2-Dodecyl-2-methyl-1,3-propanediyl bis[N-[5 ′-nitro(benzo-15-crown-5)-4 ′-yl]carbamate]; BME 44

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Specifications

MDL Number	MFCD00145150
Synonym	2-Dodecyl-2-methyl-1,3-propanediyl bis[N-[5 ′-nitro(benzo-15-crown-5)-4 ′-yl]carbamate]; BME 44

535

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2-Fluoro-4-(2-pyridylcarbamoyl)benzeneboronic acid, 97%, Thermo Scientific Chemicals

Molecular Formula: C₁₂H₁₀BFN₂O₃ MDL Number: MFCD22682831

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Specifications

MDL Number	MFCD22682831
Molecular Formula	C₁₂H₁₀BFN₂O₃

536

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3-Methylhippuric acid, 97%

CAS: 27115-49-7 Molecular Formula: C10H11NO3 Molecular Weight (g/mol): 193.20 MDL Number: MFCD00044399 InChI Key: YKAKNMHEIJUKEX-UHFFFAOYSA-N Synonym: 3-methylhippuric acid,m-methylhippuric acid,n-m-toluoyl glycine,m-toluric acid,n-3-methylbenzoyl glycine,3-methylbenzoylglycine,glycine, n-3-methylbenzoyl,meta-methylhippuric acid,hippuric acid, m-methyl,3-methyl hippuric acid PubChem CID: 99223 ChEBI: CHEBI:68500 SMILES: CC1=CC=CC(=C1)C(=O)NCC(O)=O

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Specifications

PubChem CID	99223
CAS	27115-49-7
Molecular Weight (g/mol)	193.20
ChEBI	CHEBI:68500
MDL Number	MFCD00044399
SMILES	CC1=CC=CC(=C1)C(=O)NCC(O)=O
Synonym	3-methylhippuric acid,m-methylhippuric acid,n-m-toluoyl glycine,m-toluric acid,n-3-methylbenzoyl glycine,3-methylbenzoylglycine,glycine, n-3-methylbenzoyl,meta-methylhippuric acid,hippuric acid, m-methyl,3-methyl hippuric acid
InChI Key	YKAKNMHEIJUKEX-UHFFFAOYSA-N
Molecular Formula	C10H11NO3

537

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Maltol, FCC, 99%, Spectrum™ Chemical

CAS: 118-71-8 Molecular Formula: C6H6O3 Molecular Weight (g/mol): 126.11 MDL Number: MFCD00006578 InChI Key: XPCTZQVDEJYUGT-UHFFFAOYSA-N IUPAC Name: 3-hydroxy-2-methyl-4H-pyran-4-one SMILES: CC1=C(O)C(=O)C=CO1

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Specifications

CAS	118-71-8
Molecular Weight (g/mol)	126.11
MDL Number	MFCD00006578
SMILES	CC1=C(O)C(=O)C=CO1
IUPAC Name	3-hydroxy-2-methyl-4H-pyran-4-one
InChI Key	XPCTZQVDEJYUGT-UHFFFAOYSA-N
Molecular Formula	C6H6O3

538

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1,4-Cyclohexanedione, 98%

CAS: 637-88-7 Molecular Formula: C6H8O2 Molecular Weight (g/mol): 112.128 MDL Number: MFCD00001606 InChI Key: DCZFGQYXRKMVFG-UHFFFAOYSA-N Synonym: 1,4-cyclohexanedione,tetrahydroquinone,1,4-dioxocyclohexane,1,4-cyclohexandione,1,4 cyclohexane dione,1,4-cyclohexane-dione,cyclohexan-1,4-dione,pubchem13686,cyclohexane-1,4-quinone,acmc-1b8ar PubChem CID: 12511 ChEBI: CHEBI:28286 IUPAC Name: cyclohexane-1,4-dione SMILES: C1CC(=O)CCC1=O

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Specifications

PubChem CID	12511
CAS	637-88-7
Molecular Weight (g/mol)	112.128
ChEBI	CHEBI:28286
MDL Number	MFCD00001606
SMILES	C1CC(=O)CCC1=O
Synonym	1,4-cyclohexanedione,tetrahydroquinone,1,4-dioxocyclohexane,1,4-cyclohexandione,1,4 cyclohexane dione,1,4-cyclohexane-dione,cyclohexan-1,4-dione,pubchem13686,cyclohexane-1,4-quinone,acmc-1b8ar
IUPAC Name	cyclohexane-1,4-dione
InChI Key	DCZFGQYXRKMVFG-UHFFFAOYSA-N
Molecular Formula	C6H8O2

539

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7-Fluoro-6-nitro-3,4-dihydro-2H-1,4-benzoxazine, 97%, Thermo Scientific Chemicals

CAS: 122138-83-4 Molecular Formula: C8H7FN2O3 Molecular Weight (g/mol): 198.153 MDL Number: MFCD23379858 InChI Key: PEOVRVSERLAIQM-UHFFFAOYSA-N PubChem CID: 14422956 IUPAC Name: 7-fluoro-6-nitro-3,4-dihydro-2H-1,4-benzoxazine SMILES: C1COC2=CC(=C(C=C2N1)[N+](=O)[O-])F

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Specifications

PubChem CID	14422956
CAS	122138-83-4
Molecular Weight (g/mol)	198.153
MDL Number	MFCD23379858
SMILES	C1COC2=CC(=C(C=C2N1)[N+](=O)[O-])F
IUPAC Name	7-fluoro-6-nitro-3,4-dihydro-2H-1,4-benzoxazine
InChI Key	PEOVRVSERLAIQM-UHFFFAOYSA-N
Molecular Formula	C8H7FN2O3

540

Sodium hexachloropalladate(IV) hydrate, 99.9% (metals basis)

CAS: 53823-60-2 Molecular Formula: Cl6Na2Pd Molecular Weight (g/mol): 365.10 MDL Number: MFCD00014235 InChI Key: OWJQEDIJRBKDJO-UHFFFAOYSA-H IUPAC Name: disodium hexachloropalladiumbis(ylium) SMILES: [Na+].[Na+].Cl[Pd++](Cl)(Cl)(Cl)(Cl)Cl

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Specifications

CAS	53823-60-2
Molecular Weight (g/mol)	365.10
MDL Number	MFCD00014235
SMILES	[Na+].[Na+].Cl[Pd++](Cl)(Cl)(Cl)(Cl)Cl
IUPAC Name	disodium hexachloropalladiumbis(ylium)
InChI Key	OWJQEDIJRBKDJO-UHFFFAOYSA-H
Molecular Formula	Cl6Na2Pd

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