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Organoheterocyclic compounds

Organic compounds that consist of ring structures, or cyclic compounds that have atoms of at least two different elements as members of its ring(s).
Pyridines and derivatives (52)
Pyrimidines And Derivatives (27)
Pyrrolidines (27)
Imidazopyrimidines (20)
Azoles (18)
Quinolines and derivatives (17)
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Benzothiazines (11)
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Thienothiazines (1)

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1 – 15 of 155 results
1

Caffeine, Anhydrous, USP, Spectrum™ Chemical
SDP

CAS: 58-08-2

CAS 58-08-2
2

Caffeine, 98.5%, specified according to the req. of USP/BP

CAS: 58-08-2 Molecular Formula: C8H10N4O2 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00005758 InChI Key: RYYVLZVUVIJVGH-UHFFFAOYSA-N Synonym: caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep PubChem CID: 2519 ChEBI: CHEBI:27732 IUPAC Name: 1,3,7-trimethylpurine-2,6-dione SMILES: CN1C=NC2=C1C(=O)N(C)C(=O)N2C

PubChem CID 2519
CAS 58-08-2
Molecular Weight (g/mol) 194.19
ChEBI CHEBI:27732
MDL Number MFCD00005758
SMILES CN1C=NC2=C1C(=O)N(C)C(=O)N2C
Synonym caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep
IUPAC Name 1,3,7-trimethylpurine-2,6-dione
InChI Key RYYVLZVUVIJVGH-UHFFFAOYSA-N
Molecular Formula C8H10N4O2
3

Clioquinol, USP, 93-100.5%, Spectrum™ Chemical
SDP

CAS: 130-26-7 Molecular Formula: C9H5ClINO Molecular Weight (g/mol): 305.50 InChI Key: QCDFBFJGMNKBDO-UHFFFAOYSA-N IUPAC Name: 5-chloro-7-iodoquinolin-8-ol SMILES: OC1=C2N=CC=CC2=C(Cl)C=C1I

CAS 130-26-7
Molecular Weight (g/mol) 305.50
SMILES OC1=C2N=CC=CC2=C(Cl)C=C1I
IUPAC Name 5-chloro-7-iodoquinolin-8-ol
InChI Key QCDFBFJGMNKBDO-UHFFFAOYSA-N
Molecular Formula C9H5ClINO
4

Povidone K-30, USP, Spectrum™ Chemical
SDP

CAS: 9003-39-8 Molecular Formula: (C6H9NO)n Molecular Weight (g/mol): 111.14 MDL Number: MFCD01076626 InChI Key: WHNWPMSKXPGLAX-UHFFFAOYSA-N IUPAC Name: 1-ethenylpyrrolidin-2-one SMILES: *-CC(-*)N1CCCC1=O

CAS 9003-39-8
Molecular Weight (g/mol) 111.14
MDL Number MFCD01076626
SMILES *-CC(-*)N1CCCC1=O
IUPAC Name 1-ethenylpyrrolidin-2-one
InChI Key WHNWPMSKXPGLAX-UHFFFAOYSA-N
Molecular Formula (C6H9NO)n
5

Allopurinol, USP, 98-102%, Spectrum™ Chemical
SDP

CAS: 315-30-0 Molecular Formula: C5H4N4O Molecular Weight (g/mol): 136.11 MDL Number: MFCD00599413 InChI Key: OFCNXPDARWKPPY-UHFFFAOYSA-N IUPAC Name: 1H,2H,4H-pyrazolo[3,4-d]pyrimidin-4-one SMILES: O=C1N=CN=C2NNC=C12

CAS 315-30-0
Molecular Weight (g/mol) 136.11
MDL Number MFCD00599413
SMILES O=C1N=CN=C2NNC=C12
IUPAC Name 1H,2H,4H-pyrazolo[3,4-d]pyrimidin-4-one
InChI Key OFCNXPDARWKPPY-UHFFFAOYSA-N
Molecular Formula C5H4N4O
6

Glycopyrrolate, USP, 98-102%, Spectrum™ Chemical
SDP

CAS: 596-51-0 Molecular Formula: C19H28BrNO3 Molecular Weight (g/mol): 398.34 MDL Number: MFCD00072137 InChI Key: VPNYRYCIDCJBOM-UHFFFAOYNA-M IUPAC Name: 3-[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)oxy]-1,1-dimethylpyrrolidin-1-ium bromide SMILES: [Br-].C[N+]1(C)CCC(C1)OC(=O)C(O)(C1CCCC1)C1=CC=CC=C1

CAS 596-51-0
Molecular Weight (g/mol) 398.34
MDL Number MFCD00072137
SMILES [Br-].C[N+]1(C)CCC(C1)OC(=O)C(O)(C1CCCC1)C1=CC=CC=C1
IUPAC Name 3-[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)oxy]-1,1-dimethylpyrrolidin-1-ium bromide
InChI Key VPNYRYCIDCJBOM-UHFFFAOYNA-M
Molecular Formula C19H28BrNO3
7

Omeprazole, USP, 98-102%, Spectrum™ Chemical
SDP

CAS: 73590-58-6 Molecular Formula: C17H19N3O3S Molecular Weight (g/mol): 345.42 InChI Key: SUBDBMMJDZJVOS-UHFFFAOYNA-N IUPAC Name: 6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methanesulfinyl]-1H-1,3-benzodiazole SMILES: COC1=CC=C2N=C(NC2=C1)S(=O)CC1=NC=C(C)C(OC)=C1C

CAS 73590-58-6
Molecular Weight (g/mol) 345.42
SMILES COC1=CC=C2N=C(NC2=C1)S(=O)CC1=NC=C(C)C(OC)=C1C
IUPAC Name 6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methanesulfinyl]-1H-1,3-benzodiazole
InChI Key SUBDBMMJDZJVOS-UHFFFAOYNA-N
Molecular Formula C17H19N3O3S
8

Fluorouracil, USP, 98-102%, Spectrum™ Chemical
SDP

CAS: 51-21-8 Molecular Formula: C4H3FN2O2 Molecular Weight (g/mol): 130.08 MDL Number: MFCD00006018 InChI Key: GHASVSINZRGABV-UHFFFAOYSA-N IUPAC Name: 5-fluoro-1,2,3,4-tetrahydropyrimidine-2,4-dione SMILES: FC1=CNC(=O)NC1=O

CAS 51-21-8
Molecular Weight (g/mol) 130.08
MDL Number MFCD00006018
SMILES FC1=CNC(=O)NC1=O
IUPAC Name 5-fluoro-1,2,3,4-tetrahydropyrimidine-2,4-dione
InChI Key GHASVSINZRGABV-UHFFFAOYSA-N
Molecular Formula C4H3FN2O2
9

Piroxicam, USP, 97-103%, Spectrum™ Chemical
SDP

CAS: 36322-90-4 Molecular Formula: C15H13N3O4S Molecular Weight (g/mol): 331.35 InChI Key: LDJVNWFKNMYYNT-FYWRMAATSA-N IUPAC Name: (3E)-3-{hydroxy[(pyridin-2-yl)amino]methylidene}-2-methyl-3,4-dihydro-2H-1λ⁶,2-benzothiazine-1,1,4-trione SMILES: CN1\C(=C(\O)NC2=CC=CC=N2)C(=O)C2=CC=CC=C2S1(=O)=O

CAS 36322-90-4
Molecular Weight (g/mol) 331.35
SMILES CN1\C(=C(\O)NC2=CC=CC=N2)C(=O)C2=CC=CC=C2S1(=O)=O
IUPAC Name (3E)-3-{hydroxy[(pyridin-2-yl)amino]methylidene}-2-methyl-3,4-dihydro-2H-1λ⁶,2-benzothiazine-1,1,4-trione
InChI Key LDJVNWFKNMYYNT-FYWRMAATSA-N
Molecular Formula C15H13N3O4S
10

Fenbendazole, USP, 98-101%, Spectrum™ Chemical
SDP

CAS: 43210-67-9 Molecular Formula: C15H13N3O2S Molecular Weight (g/mol): 299.35 InChI Key: HDDSHPAODJUKPD-UHFFFAOYSA-N IUPAC Name: methyl N-[6-(phenylsulfanyl)-1H-1,3-benzodiazol-2-yl]carbamate SMILES: COC(=O)NC1=NC2=CC=C(SC3=CC=CC=C3)C=C2N1

CAS 43210-67-9
Molecular Weight (g/mol) 299.35
SMILES COC(=O)NC1=NC2=CC=C(SC3=CC=CC=C3)C=C2N1
IUPAC Name methyl N-[6-(phenylsulfanyl)-1H-1,3-benzodiazol-2-yl]carbamate
InChI Key HDDSHPAODJUKPD-UHFFFAOYSA-N
Molecular Formula C15H13N3O2S
11

Ketoconazole, USP, 98-102%, Spectrum™ Chemical
SDP

CAS: 65277-42-1 Molecular Formula: C26H28Cl2N4O4 Molecular Weight (g/mol): 531.43 InChI Key: XMAYWYJOQHXEEK-ZEQKJWHPSA-N IUPAC Name: 1-[4-(4-{[(2S,4R)-2-(2,4-dichlorophenyl)-2-[(1H-imidazol-1-yl)methyl]-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]ethan-1-one SMILES: CC(=O)N1CCN(CC1)C1=CC=C(OC[C@@H]2CO[C@](CN3C=CN=C3)(O2)C2=CC=C(Cl)C=C2Cl)C=C1

CAS 65277-42-1
Molecular Weight (g/mol) 531.43
SMILES CC(=O)N1CCN(CC1)C1=CC=C(OC[C@@H]2CO[C@](CN3C=CN=C3)(O2)C2=CC=C(Cl)C=C2Cl)C=C1
IUPAC Name 1-[4-(4-{[(2S,4R)-2-(2,4-dichlorophenyl)-2-[(1H-imidazol-1-yl)methyl]-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]ethan-1-one
InChI Key XMAYWYJOQHXEEK-ZEQKJWHPSA-N
Molecular Formula C26H28Cl2N4O4
12

Quinine sulfate dihydrate, specified according to the requirements of USP

CAS: 6119-70-6 Molecular Formula: C40H54N4O10S Molecular Weight (g/mol): 782.95 MDL Number: MFCD00150790 InChI Key: ZHNFLHYOFXQIOW-OIGVVMIYNA-N PubChem CID: 134129495 SMILES: O.O.OS(O)(=O)=O.[H][C@@]1(CN2CCC1C[C@@]2([H])[C@H](O)C1=C2C=C(OC)C=CC2=NC=C1)C=C.[H][C@@]1(CN2CCC1C[C@@]2([H])[C@H](O)C1=C2C=C(OC)C=CC2=NC=C1)C=C

PubChem CID 134129495
CAS 6119-70-6
Molecular Weight (g/mol) 782.95
MDL Number MFCD00150790
SMILES O.O.OS(O)(=O)=O.[H][C@@]1(CN2CCC1C[C@@]2([H])[C@H](O)C1=C2C=C(OC)C=CC2=NC=C1)C=C.[H][C@@]1(CN2CCC1C[C@@]2([H])[C@H](O)C1=C2C=C(OC)C=CC2=NC=C1)C=C
InChI Key ZHNFLHYOFXQIOW-OIGVVMIYNA-N
Molecular Formula C40H54N4O10S
13

Topiramate, USP, 98-102%, Spectrum™ Chemical
SDP

CAS: 97240-79-4 Molecular Formula: C12H21NO8S Molecular Weight (g/mol): 339.36 InChI Key: KJADKKWYZYXHBB-XBWDGYHZSA-N IUPAC Name: [(1R,2S,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0²,⁶]dodecan-6-yl]methyl sulfamate SMILES: CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1

CAS 97240-79-4
Molecular Weight (g/mol) 339.36
SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
IUPAC Name [(1R,2S,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0²,⁶]dodecan-6-yl]methyl sulfamate
InChI Key KJADKKWYZYXHBB-XBWDGYHZSA-N
Molecular Formula C12H21NO8S
14

Povidone, K-90, USP, Spectrum™ Chemical
SDP

CAS: 9003-39-8 Molecular Formula: (C6H9NO)n Molecular Weight (g/mol): 111.14 MDL Number: MFCD01076626 InChI Key: WHNWPMSKXPGLAX-UHFFFAOYSA-N IUPAC Name: 1-ethenylpyrrolidin-2-one SMILES: *-CC(-*)N1CCCC1=O

CAS 9003-39-8
Molecular Weight (g/mol) 111.14
MDL Number MFCD01076626
SMILES *-CC(-*)N1CCCC1=O
IUPAC Name 1-ethenylpyrrolidin-2-one
InChI Key WHNWPMSKXPGLAX-UHFFFAOYSA-N
Molecular Formula (C6H9NO)n
15

Spectrum Chemical Manufacturing Corporation Povidone K-30, USP, Spectrum™ Chemical
SDP

CAS: 9003-39-8 Molecular Formula: (C6H9NO)n Molecular Weight (g/mol): 111.14 MDL Number: MFCD01076626 InChI Key: WHNWPMSKXPGLAX-UHFFFAOYSA-N IUPAC Name: 1-ethenylpyrrolidin-2-one SMILES: *-CC(-*)N1CCCC1=O

CAS 9003-39-8
Molecular Weight (g/mol) 111.14
MDL Number MFCD01076626
SMILES *-CC(-*)N1CCCC1=O
IUPAC Name 1-ethenylpyrrolidin-2-one
InChI Key WHNWPMSKXPGLAX-UHFFFAOYSA-N
Molecular Formula (C6H9NO)n