Unclassified Organic Compounds

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

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571 – 585 of 208,875 results

571

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3-Methylcyclohexane-1,2-dione, 98+%

CAS: 3008-43-3 Molecular Formula: C7H10O2 Molecular Weight (g/mol): 126.16 MDL Number: MFCD00209518 InChI Key: JDXJKLGWPNXSHL-UHFFFAOYNA-N Synonym: 3-methyl-1,2-cyclohexanedione,1,2-cyclohexanedione, 3-methyl,1-methyl-2,3-cyclohexadione,coffee dione,fema no. 3305,methylcyclohexanedione,acmc-1cmqp,dsstox_cid_27675,dsstox_rid_82493,dsstox_gsid_47675 PubChem CID: 3321360 IUPAC Name: 3-methylcyclohexane-1,2-dione SMILES: CC1CCCC(=O)C1=O

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Specifications

PubChem CID	3321360
CAS	3008-43-3
Molecular Weight (g/mol)	126.16
MDL Number	MFCD00209518
SMILES	CC1CCCC(=O)C1=O
Synonym	3-methyl-1,2-cyclohexanedione,1,2-cyclohexanedione, 3-methyl,1-methyl-2,3-cyclohexadione,coffee dione,fema no. 3305,methylcyclohexanedione,acmc-1cmqp,dsstox_cid_27675,dsstox_rid_82493,dsstox_gsid_47675
IUPAC Name	3-methylcyclohexane-1,2-dione
InChI Key	JDXJKLGWPNXSHL-UHFFFAOYNA-N
Molecular Formula	C7H10O2

572

Enalapril

CAS: 75847-73-3 Molecular Formula: C20H28N2O5 Molecular Weight (g/mol): 376.453 MDL Number: MFCD00865774 InChI Key: GBXSMTUPTTWBMN-XIRDDKMYSA-N Synonym: enalapril,enalaprilum,vasotec,enalaprila,enalapril tn,unii-69pn84io1a,enalapril inn,enalapril richet,chembl578,enalaprilum inn-latin PubChem CID: 5388962 ChEBI: CHEBI:4784 IUPAC Name: (2S)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid SMILES: CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CCCC2C(=O)O

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Specifications

PubChem CID	5388962
CAS	75847-73-3
Molecular Weight (g/mol)	376.453
ChEBI	CHEBI:4784
MDL Number	MFCD00865774
SMILES	CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CCCC2C(=O)O
Synonym	enalapril,enalaprilum,vasotec,enalaprila,enalapril tn,unii-69pn84io1a,enalapril inn,enalapril richet,chembl578,enalaprilum inn-latin
IUPAC Name	(2S)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid
InChI Key	GBXSMTUPTTWBMN-XIRDDKMYSA-N
Molecular Formula	C20H28N2O5

573

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Thermo Scientific Chemicals Scutellarin

CAS: 27740-01-8 Molecular Weight (g/mol): 462.36 InChI Key: DJSISFGPUUYILV-ZFORQUDYSA-N IUPAC Name: (2S,3S,4S,5R,6S)-6-{[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid SMILES: O[C@@H]1[C@@H](O)[C@H](OC2=C(O)C(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)O[C@@H]([C@H]1O)C(O)=O

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Specifications

CAS	27740-01-8
Molecular Weight (g/mol)	462.36
SMILES	O[C@@H]1[C@@H](O)[C@H](OC2=C(O)C(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)O[C@@H]([C@H]1O)C(O)=O
IUPAC Name	(2S,3S,4S,5R,6S)-6-{[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
InChI Key	DJSISFGPUUYILV-ZFORQUDYSA-N

574

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Carbamoyl-2,2,5,5-tetramethyl-3-pyrrolin-1-yloxy, free radical, 99%

CAS: 3229-73-0 Molecular Formula: C9H16N2O2 Molecular Weight (g/mol): 184.24 MDL Number: MFCD00005341 InChI Key: GMXOTWPDUBXCMS-UHFFFAOYSA-N Synonym: 2,2,5,5-Tetramethyl-3-pyrrolin-1-oxyl-3-carboxamide IUPAC Name: 1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrole-3-carboxamide SMILES: CC1(C)C=C(C(N)=O)C(C)(C)N1O

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Specifications

CAS	3229-73-0
Molecular Weight (g/mol)	184.24
MDL Number	MFCD00005341
SMILES	CC1(C)C=C(C(N)=O)C(C)(C)N1O
Synonym	2,2,5,5-Tetramethyl-3-pyrrolin-1-oxyl-3-carboxamide
IUPAC Name	1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrole-3-carboxamide
InChI Key	GMXOTWPDUBXCMS-UHFFFAOYSA-N
Molecular Formula	C9H16N2O2

575

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Thermo Scientific Chemicals Ibandronate sodium salt monohydrate

CAS: 138926-19-9 Molecular Formula: C9H24NNaO8P2 Molecular Weight (g/mol): 359.23 InChI Key: VBDRTGFACFYFCT-UHFFFAOYNA-M IUPAC Name: sodium hydrate hydrogen {1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl}phosphonate SMILES: O.[Na+].CCCCCN(C)CCC(O)(P(O)(O)=O)P(O)([O-])=O

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Specifications

CAS	138926-19-9
Molecular Weight (g/mol)	359.23
SMILES	O.[Na+].CCCCCN(C)CCC(O)(P(O)(O)=O)P(O)([O-])=O
IUPAC Name	sodium hydrate hydrogen {1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl}phosphonate
InChI Key	VBDRTGFACFYFCT-UHFFFAOYNA-M
Molecular Formula	C9H24NNaO8P2

576

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Thermo Scientific Chemicals Coenzyme B12

CAS: 13870-90-1 Molecular Formula: C72H100CoN18O17P Molecular Weight (g/mol): 1579.61 InChI Key: OAJLVMGLJZXSGX-UHFFFAOYNA-L IUPAC Name: cobalt(3+) 4,9,14-tris(2-carbamoylethyl)-3,8,19-tris(carbamoylmethyl)-18-{2-[(2-{[5-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl phosphonato]oxy}propyl)carbamoyl]ethyl}-2,3,6,8,13,13,16,18-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.1²,⁵.1⁷,¹⁰.1¹²,¹⁵]tricosa-5(23),6,10(22),11,15(21),16-hexaen-20-ide [5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methanide SMILES: [Co+3].[CH2-]C1OC(C(O)C1O)N1C=NC2=C(N)N=CN=C12.CC(CNC(=O)CCC1(C)C(CC(N)=O)C2[N-]C1=C(C)C1=NC(=CC3=NC(=C(C)C4=NC2(C)C(C)(CC(N)=O)C4CCC(N)=O)C(C)(CC(N)=O)C3CCC(N)=O)C(C)(C)C1CCC(N)=O)OP([O-])(=O)OC1C(CO)OC(C1O)N1C=NC2=CC(C)=C(C)C=C12

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Specifications

CAS	13870-90-1
Molecular Weight (g/mol)	1579.61
SMILES	[Co+3].[CH2-]C1OC(C(O)C1O)N1C=NC2=C(N)N=CN=C12.CC(CNC(=O)CCC1(C)C(CC(N)=O)C2[N-]C1=C(C)C1=NC(=CC3=NC(=C(C)C4=NC2(C)C(C)(CC(N)=O)C4CCC(N)=O)C(C)(CC(N)=O)C3CCC(N)=O)C(C)(C)C1CCC(N)=O)OP([O-])(=O)OC1C(CO)OC(C1O)N1C=NC2=CC(C)=C(C)C=C12
IUPAC Name	cobalt(3+) 4,9,14-tris(2-carbamoylethyl)-3,8,19-tris(carbamoylmethyl)-18-{2-[(2-{[5-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl phosphonato]oxy}propyl)carbamoyl]ethyl}-2,3,6,8,13,13,16,18-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.1²,⁵.1⁷,¹⁰.1¹²,¹⁵]tricosa-5(23),6,10(22),11,15(21),16-hexaen-20-ide [5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methanide
InChI Key	OAJLVMGLJZXSGX-UHFFFAOYNA-L
Molecular Formula	C72H100CoN18O17P

577

Ofloxacin, MP Biomedicals™

CAS: 82419-36-1 Molecular Formula: C18H20FN3O4 Molecular Weight (g/mol): 361.37 InChI Key: GSDSWSVVBLHKDQ-UHFFFAOYNA-N Synonym: Oflocet,Ofloxacine,Oxaldin,Tarivid

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Specifications

CAS	82419-36-1
Molecular Weight (g/mol)	361.37
Synonym	Oflocet,Ofloxacine,Oxaldin,Tarivid
InChI Key	GSDSWSVVBLHKDQ-UHFFFAOYNA-N
Molecular Formula	C18H20FN3O4

578

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Methyltitanium(IV) triisopropoxide, 1M solution in THF

CAS: 18006-13-8 Molecular Formula: C₁₀H₂₄O₃Ti Molecular Weight (g/mol): 240.18 MDL Number: MFCD03411233 InChI Key: QBLPAZNBFFURKB-UHFFFAOYSA-N Synonym: titanium, methyltripropoxy,titanium,methyltris 2-propanolato-, t-4,methyltitanium triisopropoxide, 1m in tetrahydrofuran PubChem CID: 144064 IUPAC Name: carbanide;propan-2-ol;titanium SMILES: [CH3-].CC(C)O.CC(C)O.CC(C)O.[Ti]

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Specifications

PubChem CID	144064
CAS	18006-13-8
Molecular Weight (g/mol)	240.18
MDL Number	MFCD03411233
SMILES	[CH3-].CC(C)O.CC(C)O.CC(C)O.[Ti]
Synonym	titanium, methyltripropoxy,titanium,methyltris 2-propanolato-, t-4,methyltitanium triisopropoxide, 1m in tetrahydrofuran
IUPAC Name	carbanide;propan-2-ol;titanium
InChI Key	QBLPAZNBFFURKB-UHFFFAOYSA-N
Molecular Formula	C₁₀H₂₄O₃Ti

579

Selectophore™ Poly(vinyl chloride), high molecular weight, MilliporeSigma™ Supelco™

MDL Number: MFCD00084459 Synonym: PVC

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Specifications

MDL Number	MFCD00084459
Synonym	PVC

580

Mexenone, British Pharmacopoeia (BP) Reference Standard, MilliporeSigma™ Supelco™

This product is provided as delivered and specified by the issuing Pharmacopoeia. All information provided in support of this product, including SDS and any product information leaflets, has been developed and issued under the Authority of the issuing Pharmacopoeia.

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581

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5-Formyl-2-furancarboxylic acid, Thermo Scientific Chemicals

CAS: 13529-17-4 Molecular Formula: C6H3O4 Molecular Weight (g/mol): 139.09 InChI Key: SHNRXUWGUKDPMA-UHFFFAOYSA-M IUPAC Name: 5-formylfuran-2-carboxylate SMILES: [O-]C(=O)C1=CC=C(O1)C=O

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Specifications

CAS	13529-17-4
Molecular Weight (g/mol)	139.09
SMILES	[O-]C(=O)C1=CC=C(O1)C=O
IUPAC Name	5-formylfuran-2-carboxylate
InChI Key	SHNRXUWGUKDPMA-UHFFFAOYSA-M
Molecular Formula	C6H3O4

582

Dichloro(ethylenediamine)palladium(II), Pd 44.8%

CAS: 15020-99-2 Molecular Formula: C2H8Cl2N2Pd Molecular Weight (g/mol): 237.42 MDL Number: MFCD00044991 InChI Key: CAYKJANQVKIYPJ-UHFFFAOYSA-L Synonym: dichloro 1,2-diaminoethane palladium,dichloro ethylenediamine palladium ii,dichloro 1,2-diaminoethane ;palladium,dichloro ethylenediamine palladate ii,ethylenediamine palladium ii chloride,ethylenediamine; palladium chloride,palladium ii chloride ethylenediamine complex,dichloro ethylenediamine palladium ii , pd PubChem CID: 11139157 SMILES: Cl[Pd]Cl.NCCN

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Specifications

PubChem CID	11139157
CAS	15020-99-2
Molecular Weight (g/mol)	237.42
MDL Number	MFCD00044991
SMILES	Cl[Pd]Cl.NCCN
Synonym	dichloro 1,2-diaminoethane palladium,dichloro ethylenediamine palladium ii,dichloro 1,2-diaminoethane ;palladium,dichloro ethylenediamine palladate ii,ethylenediamine palladium ii chloride,ethylenediamine; palladium chloride,palladium ii chloride ethylenediamine complex,dichloro ethylenediamine palladium ii , pd
InChI Key	CAYKJANQVKIYPJ-UHFFFAOYSA-L
Molecular Formula	C2H8Cl2N2Pd

583

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N-Boc-L-isoleucine, 98+%

CAS: 13139-16-7 Molecular Formula: C11H21NO4 Molecular Weight (g/mol): 231.29 MDL Number: MFCD00038324 MFCD00237550 InChI Key: QJCNLJWUIOIMMF-YUMQZZPRSA-N Synonym: boc-l-isoleucine,boc-ile-oh,n-boc-l-isoleucine,n-tert-butoxycarbonyl-l-isoleucine,boc-dl-ile-oh,boc-l-ile-oh,2s,3s-2-tert-butoxycarbonyl amino-3-methylpentanoic acid,l-isoleucine, n-1,1-dimethylethoxy carbonyl,boc-isoleucine,n-t-boc-l-isoleucine PubChem CID: 2724762 IUPAC Name: (2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid SMILES: CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(O)=O

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Specifications

PubChem CID	2724762
CAS	13139-16-7
Molecular Weight (g/mol)	231.29
MDL Number	MFCD00038324 MFCD00237550
SMILES	CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(O)=O
Synonym	boc-l-isoleucine,boc-ile-oh,n-boc-l-isoleucine,n-tert-butoxycarbonyl-l-isoleucine,boc-dl-ile-oh,boc-l-ile-oh,2s,3s-2-tert-butoxycarbonyl amino-3-methylpentanoic acid,l-isoleucine, n-1,1-dimethylethoxy carbonyl,boc-isoleucine,n-t-boc-l-isoleucine
IUPAC Name	(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
InChI Key	QJCNLJWUIOIMMF-YUMQZZPRSA-N
Molecular Formula	C11H21NO4

584

BTP-4Cl, Thermo Scientific Chemicals

CAS: 2414918-25-3 Molecular Formula: C{8}{2}H{8}{6}Cl{4}N{8}O{2}S{5} Synonym: TTPTTI-4 C

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Specifications

CAS	2414918-25-3
Synonym	TTPTTI-4 C
Molecular Formula	C{8}{2}H{8}{6}Cl{4}N{8}O{2}S{5}

585

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4-Nitrophenyl-beta-D-galactopyranoside hydrate, 98+%

CAS: 200422-18-0 Molecular Formula: C12H15NO8 Molecular Weight (g/mol): 301.25 MDL Number: MFCD00063256 InChI Key: IFBHRQDFSNCLOZ-MFZRPPIDNA-N Synonym: 4-nitrophenyl-beta-d-galactopyranoside hydrate,2r,3r,4s,5r,6s-2-hydroxymethyl-6-4-nitrophenoxy tetrahydro-2h-pyran-3,4,5-triol hydrate,p-nitrophenyl-?-d-galactoside hydrate,4-nitrophenyl beta-d-galactopyranoside hydrate PubChem CID: 16218614 IUPAC Name: (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxane-3,4,5-triol;hydrate SMILES: OC[C@H]1O[C@@H](OC2=CC=C(C=C2)[N+]([O-])=O)[C@H](O)[C@@H](O)[C@H]1O

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Specifications

PubChem CID	16218614
CAS	200422-18-0
Molecular Weight (g/mol)	301.25
MDL Number	MFCD00063256
SMILES	OC[C@H]1O[C@@H](OC2=CC=C(C=C2)[N+]([O-])=O)[C@H](O)[C@@H](O)[C@H]1O
Synonym	4-nitrophenyl-beta-d-galactopyranoside hydrate,2r,3r,4s,5r,6s-2-hydroxymethyl-6-4-nitrophenoxy tetrahydro-2h-pyran-3,4,5-triol hydrate,p-nitrophenyl-?-d-galactoside hydrate,4-nitrophenyl beta-d-galactopyranoside hydrate
IUPAC Name	(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxane-3,4,5-triol;hydrate
InChI Key	IFBHRQDFSNCLOZ-MFZRPPIDNA-N
Molecular Formula	C12H15NO8

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