Unclassified Organic Compounds

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

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661 – 675 of 203,284 results

661

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Thermo Scientific Chemicals Axitinib

CAS: 319460-85-0 Molecular Formula: C22H18N4OS Molecular Weight (g/mol): 386.47 InChI Key: RITAVMQDGBJQJZ-FMIVXFBMSA-N IUPAC Name: N-methyl-2-({3-[(1E)-2-(pyridin-2-yl)ethenyl]-1H-indazol-6-yl}sulfanyl)benzamide SMILES: CNC(=O)C1=CC=CC=C1SC1=CC=C2C(NN=C2\C=C\C2=CC=CC=N2)=C1

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Specifications

CAS	319460-85-0
Molecular Weight (g/mol)	386.47
SMILES	CNC(=O)C1=CC=CC=C1SC1=CC=C2C(NN=C2\C=C\C2=CC=CC=N2)=C1
IUPAC Name	N-methyl-2-({3-[(1E)-2-(pyridin-2-yl)ethenyl]-1H-indazol-6-yl}sulfanyl)benzamide
InChI Key	RITAVMQDGBJQJZ-FMIVXFBMSA-N
Molecular Formula	C22H18N4OS

662

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(1-Butyl)triphenylphosphonium chloride

CAS: 13371-17-0 Molecular Formula: C22H24ClP Molecular Weight (g/mol): 354.86 MDL Number: MFCD00040546 InChI Key: MFIUDWFSVDFDDY-UHFFFAOYSA-M Synonym: butyltriphenylphosphonium chloride,butyl triphenyl phosphonium chloride,phosphonium, butyltriphenyl-, chloride,1-butyl triphenylphosphonium chloride,phosphonium, butyltriphenyl-, chloride 1:1,butyltriphenyl phosphonium chloride,butyl triphenyl phosphanium chloride,butyltriphenylphosphanium chloride,acmc-1bzbo,butyltriphenyl-phosphoniuchloride PubChem CID: 166797 IUPAC Name: butyl(triphenyl)phosphanium;chloride SMILES: [Cl-].CCCC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	166797
CAS	13371-17-0
Molecular Weight (g/mol)	354.86
MDL Number	MFCD00040546
SMILES	[Cl-].CCCC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	butyltriphenylphosphonium chloride,butyl triphenyl phosphonium chloride,phosphonium, butyltriphenyl-, chloride,1-butyl triphenylphosphonium chloride,phosphonium, butyltriphenyl-, chloride 1:1,butyltriphenyl phosphonium chloride,butyl triphenyl phosphanium chloride,butyltriphenylphosphanium chloride,acmc-1bzbo,butyltriphenyl-phosphoniuchloride
IUPAC Name	butyl(triphenyl)phosphanium;chloride
InChI Key	MFIUDWFSVDFDDY-UHFFFAOYSA-M
Molecular Formula	C22H24ClP

663

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Silodosin, Thermo Scientific Chemicals

CAS: 160970-54-7 Molecular Formula: C25H32F3N3O4 Molecular Weight (g/mol): 495.54 InChI Key: PNCPYILNMDWPEY-QGZVFWFLSA-N IUPAC Name: 1-(3-hydroxypropyl)-5-[(2R)-2-({2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl}amino)propyl]-2,3-dihydro-1H-indole-7-carboxamide SMILES: C[C@H](CC1=CC2=C(N(CCCO)CC2)C(=C1)C(N)=O)NCCOC1=CC=CC=C1OCC(F)(F)F

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Specifications

CAS	160970-54-7
Molecular Weight (g/mol)	495.54
SMILES	C[C@H](CC1=CC2=C(N(CCCO)CC2)C(=C1)C(N)=O)NCCOC1=CC=CC=C1OCC(F)(F)F
IUPAC Name	1-(3-hydroxypropyl)-5-[(2R)-2-({2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl}amino)propyl]-2,3-dihydro-1H-indole-7-carboxamide
InChI Key	PNCPYILNMDWPEY-QGZVFWFLSA-N
Molecular Formula	C25H32F3N3O4

664

Glycitein

CAS: 40957-83-3 Molecular Formula: C16H12O5 Molecular Weight (g/mol): 284.27 InChI Key: DXYUAIFZCFRPTH-UHFFFAOYSA-N IUPAC Name: 7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one SMILES: COC1=C(O)C=C2OC=C(C(=O)C2=C1)C1=CC=C(O)C=C1

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Specifications

CAS	40957-83-3
Molecular Weight (g/mol)	284.27
SMILES	COC1=C(O)C=C2OC=C(C(=O)C2=C1)C1=CC=C(O)C=C1
IUPAC Name	7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one
InChI Key	DXYUAIFZCFRPTH-UHFFFAOYSA-N
Molecular Formula	C16H12O5

665

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Thermo Scientific Chemicals Dapagliflozin

CAS: 461432-26-8 Molecular Formula: C21H25ClO6 Molecular Weight (g/mol): 408.88 InChI Key: JVHXJTBJCFBINQ-UHFFFAOYNA-N IUPAC Name: 2-{4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl}-6-(hydroxymethyl)oxane-3,4,5-triol SMILES: CCOC1=CC=C(CC2=C(Cl)C=CC(=C2)C2OC(CO)C(O)C(O)C2O)C=C1

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Specifications

CAS	461432-26-8
Molecular Weight (g/mol)	408.88
SMILES	CCOC1=CC=C(CC2=C(Cl)C=CC(=C2)C2OC(CO)C(O)C(O)C2O)C=C1
IUPAC Name	2-{4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl}-6-(hydroxymethyl)oxane-3,4,5-triol
InChI Key	JVHXJTBJCFBINQ-UHFFFAOYNA-N
Molecular Formula	C21H25ClO6

666

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Abacavir sulfate, 99 %

CAS: 188062-50-2 Molecular Formula: C₁₄H₁₈N₆O·₁/₂H₂SO₄ Molecular Weight (g/mol): 335.37 InChI Key: WMHSRBZIJNQHKT-NHMRBCHTSA-N Synonym: abacavir hemisulfate,1s,4r-4-2-amino-6-cyclopropylamino-9h-purin-9-yl-2-cyclopentene-1-methanol hemisulfate PubChem CID: 75539558 IUPAC Name: [(1S)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol;sulfuric acid SMILES: C1CC1NC2=NC(=NC3=C2N=CN3C4CC(C=C4)CO)N.C1CC1NC2=NC(=NC3=C2N=CN3C4CC(C=C4)CO)N.OS(=O)(=O)O

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Specifications

PubChem CID	75539558
CAS	188062-50-2
Molecular Weight (g/mol)	335.37
SMILES	C1CC1NC2=NC(=NC3=C2N=CN3C4CC(C=C4)CO)N.C1CC1NC2=NC(=NC3=C2N=CN3C4CC(C=C4)CO)N.OS(=O)(=O)O
Synonym	abacavir hemisulfate,1s,4r-4-2-amino-6-cyclopropylamino-9h-purin-9-yl-2-cyclopentene-1-methanol hemisulfate
IUPAC Name	[(1S)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol;sulfuric acid
InChI Key	WMHSRBZIJNQHKT-NHMRBCHTSA-N
Molecular Formula	C₁₄H₁₈N₆O·₁/₂H₂SO₄

667

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Thermo Scientific Chemicals Clofazimine, 98%

CAS: 2030-63-9 Molecular Formula: C₂₇H₂₂Cl₂N₄ Molecular Weight (g/mol): 473.4 InChI Key: WDQPAMHFFCXSNU-UHFFFAOYSA-N PubChem CID: 2794 ChEBI: CHEBI:3749

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Specifications

PubChem CID	2794
CAS	2030-63-9
Molecular Weight (g/mol)	473.4
ChEBI	CHEBI:3749
InChI Key	WDQPAMHFFCXSNU-UHFFFAOYSA-N
Molecular Formula	C₂₇H₂₂Cl₂N₄

668

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(+/-)-Boc-alpha-phosphonoglycine trimethyl ester, 95%

CAS: 89524-98-1 Molecular Formula: C10H20NO7P Molecular Weight (g/mol): 297.24 MDL Number: MFCD02178893 InChI Key: LJHAPRKTPAREGO-ZETCQYMHSA-N Synonym: methyl 2-tert-butoxycarbonyl amino-2-dimethoxyphosphoryl acetate,+/--boc-alpha-phosphonoglycine trimethyl ester,n-boc-2-phosphonoglycine trimethyl ester,methyl n-boc-2-dimethylphosphono glycinate,methyl 2-tert-butoxycarbonylamino-2-dimethoxyphosphoryl-acetate,boc-alpha-phosphonoglycine trimethyl ester,n-butoxycarbonyl trimethylphosphonoglycine,methyl 2-tert-butoxy carbonyl amino-2-dimethoxyphosphoryl acetate,boc-a-phosphonoglycine trimethyl ester,boc-?-phosphonoglycine trimethyl ester PubChem CID: 397380 IUPAC Name: methyl 2-dimethoxyphosphoryl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate SMILES: COC(=O)[C@@H](NC(=O)OC(C)(C)C)P(=O)(OC)OC

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Specifications

PubChem CID	397380
CAS	89524-98-1
Molecular Weight (g/mol)	297.24
MDL Number	MFCD02178893
SMILES	COC(=O)[C@@H](NC(=O)OC(C)(C)C)P(=O)(OC)OC
Synonym	methyl 2-tert-butoxycarbonyl amino-2-dimethoxyphosphoryl acetate,+/--boc-alpha-phosphonoglycine trimethyl ester,n-boc-2-phosphonoglycine trimethyl ester,methyl n-boc-2-dimethylphosphono glycinate,methyl 2-tert-butoxycarbonylamino-2-dimethoxyphosphoryl-acetate,boc-alpha-phosphonoglycine trimethyl ester,n-butoxycarbonyl trimethylphosphonoglycine,methyl 2-tert-butoxy carbonyl amino-2-dimethoxyphosphoryl acetate,boc-a-phosphonoglycine trimethyl ester,boc-?-phosphonoglycine trimethyl ester
IUPAC Name	methyl 2-dimethoxyphosphoryl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
InChI Key	LJHAPRKTPAREGO-ZETCQYMHSA-N
Molecular Formula	C10H20NO7P

669

N-Boc-trans-4-hydroxy-L-proline, 97%

CAS: 13726-69-7 Molecular Formula: C10H17NO5 Molecular Weight (g/mol): 231.25 MDL Number: MFCD00053370 InChI Key: BENKAPCDIOILGV-UHFFFAOYNA-N Synonym: boc-hyp-oh,boc-l-hydroxyproline,2s,4r-1-tert-butoxycarbonyl-4-hydroxypyrrolidine-2-carboxylic acid,boc-trans-4-hydroxy-l-proline,n-boc-trans-4-hydroxy-l-proline,boc-l-hyp-oh,boc-hydroxyproline,unii-rc99p5b8ig,trans-boc-hyp-oh,4r-1-tert-butoxycarbonyl-4-hydroxy-l-proline PubChem CID: 88804 IUPAC Name: (2S,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid SMILES: CC(C)(C)OC(=O)N1CC(O)CC1C(O)=O

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Specifications

PubChem CID	88804
CAS	13726-69-7
Molecular Weight (g/mol)	231.25
MDL Number	MFCD00053370
SMILES	CC(C)(C)OC(=O)N1CC(O)CC1C(O)=O
Synonym	boc-hyp-oh,boc-l-hydroxyproline,2s,4r-1-tert-butoxycarbonyl-4-hydroxypyrrolidine-2-carboxylic acid,boc-trans-4-hydroxy-l-proline,n-boc-trans-4-hydroxy-l-proline,boc-l-hyp-oh,boc-hydroxyproline,unii-rc99p5b8ig,trans-boc-hyp-oh,4r-1-tert-butoxycarbonyl-4-hydroxy-l-proline
IUPAC Name	(2S,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
InChI Key	BENKAPCDIOILGV-UHFFFAOYNA-N
Molecular Formula	C10H17NO5

670

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Thermo Scientific Chemicals N-Oxalylglycine

CAS: 5262-39-5 Molecular Formula: C4H5NO5 Molecular Weight (g/mol): 147.09 InChI Key: BIMZLRFONYSTPT-UHFFFAOYSA-N IUPAC Name: 2-(carboxyformamido)acetic acid SMILES: OC(=O)CNC(=O)C(O)=O

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Specifications

CAS	5262-39-5
Molecular Weight (g/mol)	147.09
SMILES	OC(=O)CNC(=O)C(O)=O
IUPAC Name	2-(carboxyformamido)acetic acid
InChI Key	BIMZLRFONYSTPT-UHFFFAOYSA-N
Molecular Formula	C4H5NO5

671

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Thermo Scientific Chemicals Baicalin

CAS: 21967-41-9 Molecular Formula: C21H18O11 Molecular Weight (g/mol): 446.36 InChI Key: IKIIZLYTISPENI-ZFORQUDYSA-N IUPAC Name: (2S,3S,4S,5R,6S)-6-[(5,6-dihydroxy-4-oxo-2-phenyl-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=CC=C2)O[C@@H]([C@H]1O)C(O)=O

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Specifications

CAS	21967-41-9
Molecular Weight (g/mol)	446.36
SMILES	O[C@@H]1[C@@H](O)[C@H](OC2=C(O)C(O)=C3C(=O)C=C(OC3=C2)C2=CC=CC=C2)O[C@@H]([C@H]1O)C(O)=O
IUPAC Name	(2S,3S,4S,5R,6S)-6-[(5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
InChI Key	IKIIZLYTISPENI-ZFORQUDYSA-N
Molecular Formula	C21H18O11

672

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Thermo Scientific Chemicals Pravastatin sodium salt hydrate

CAS: 2244386-63-6 Molecular Formula: C23H35NaO7 Molecular Weight (g/mol): 446.52 MDL Number: MFCD00887601 InChI Key: VWBQYTRBTXKKOG-IYNICTALSA-M IUPAC Name: sodium (3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate SMILES: [Na+].[H][C@]12[C@H](C[C@H](O)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC([O-])=O)OC(=O)[C@@H](C)CC

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CAS	2244386-63-6
Molecular Weight (g/mol)	446.52
MDL Number	MFCD00887601
SMILES	[Na+].[H][C@]12[C@H](C[C@H](O)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC([O-])=O)OC(=O)[C@@H](C)CC
IUPAC Name	sodium (3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate
InChI Key	VWBQYTRBTXKKOG-IYNICTALSA-M
Molecular Formula	C23H35NaO7

673

Dichloroacetic acid, technical, Thermo Scientific™

CAS: 79-43-6 Molecular Formula: C2H2Cl2O2 Molecular Weight (g/mol): 128.94 MDL Number: 00004223 InChI Key: JXTHNDFMNIQAHM-UHFFFAOYSA-N IUPAC Name: 2,2-dichloroacetic acid SMILES: OC(=O)C(Cl)Cl

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Specifications

CAS	79-43-6
Molecular Weight (g/mol)	128.94
MDL Number	00004223
SMILES	OC(=O)C(Cl)Cl
IUPAC Name	2,2-dichloroacetic acid
InChI Key	JXTHNDFMNIQAHM-UHFFFAOYSA-N
Molecular Formula	C2H2Cl2O2

674

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1,1'-Bis(dichlorophosphino)ferrocene, 98%, Thermo Scientific Chemicals

CAS: 142691-70-1 Molecular Formula: C10H8Cl4FeP2 Molecular Weight (g/mol): 387.77 MDL Number: MFCD01630854 IUPAC Name: 1,1'-Bis(dichlorophosphino)ferrocene SMILES: [Fe].ClP(Cl)c1cccc1.ClP(Cl)c1cccc1

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Specifications

CAS	142691-70-1
Molecular Weight (g/mol)	387.77
MDL Number	MFCD01630854
SMILES	[Fe].ClP(Cl)c1cccc1.ClP(Cl)c1cccc1
IUPAC Name	1,1'-Bis(dichlorophosphino)ferrocene
Molecular Formula	C10H8Cl4FeP2

675

Enalaprilat

CAS: 76420-72-9 Molecular Formula: C18H24N2O5 Molecular Weight (g/mol): 348.399 MDL Number: MFCD00865786 InChI Key: LZFZMUMEGBBDTC-QEJZJMRPSA-N Synonym: enalaprilat,enalapril acid,enalaprilate,enalaprilatum,enalapril diacid,enalaprilic acid,enalaprilat anhydrous,n-1s-1-carboxy-3-phenylpropyl-l-alanyl-l-proline,unii-q508q118jm PubChem CID: 5462501 ChEBI: CHEBI:4786 IUPAC Name: (2S)-1-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]propanoyl]pyrrolidine-2-carboxylic acid SMILES: CC(C(=O)N1CCCC1C(=O)O)NC(CCC2=CC=CC=C2)C(=O)O

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PubChem CID	5462501
CAS	76420-72-9
Molecular Weight (g/mol)	348.399
ChEBI	CHEBI:4786
MDL Number	MFCD00865786
SMILES	CC(C(=O)N1CCCC1C(=O)O)NC(CCC2=CC=CC=C2)C(=O)O
Synonym	enalaprilat,enalapril acid,enalaprilate,enalaprilatum,enalapril diacid,enalaprilic acid,enalaprilat anhydrous,n-1s-1-carboxy-3-phenylpropyl-l-alanyl-l-proline,unii-q508q118jm
IUPAC Name	(2S)-1-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
InChI Key	LZFZMUMEGBBDTC-QEJZJMRPSA-N
Molecular Formula	C18H24N2O5

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