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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 (43)
Pyrimidines And Derivatives (30)
Pyrrolidines (27)
Azoles (24)
Imidazopyrimidines (20)
Piperazines (18)
Quinolines and derivatives (17)
Benzothiazines (11)
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1 – 15 of 144 results
1

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
2

Caffeine, Anhydrous, USP, Spectrum™ Chemical
SDP

CAS: 58-08-2

CAS 58-08-2
3

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
4

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
5

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
6

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
7

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
8

Praziquantel, USP, 98.5-101%, Spectrum™ Chemical
SDP

CAS: 55268-74-1 Molecular Formula: C19H24N2O2 Molecular Weight (g/mol): 312.41 InChI Key: FSVJFNAIGNNGKK-UHFFFAOYNA-N IUPAC Name: 2-cyclohexanecarbonyl-1H,2H,3H,4H,6H,7H,11bH-pyrazino[2,1-a]isoquinolin-4-one SMILES: O=C(C1CCCCC1)N1CC2N(CCC3=CC=CC=C23)C(=O)C1

CAS 55268-74-1
Molecular Weight (g/mol) 312.41
SMILES O=C(C1CCCCC1)N1CC2N(CCC3=CC=CC=C23)C(=O)C1
IUPAC Name 2-cyclohexanecarbonyl-1H,2H,3H,4H,6H,7H,11bH-pyrazino[2,1-a]isoquinolin-4-one
InChI Key FSVJFNAIGNNGKK-UHFFFAOYNA-N
Molecular Formula C19H24N2O2
9

Loratadine, USP, 98.5-101%, Spectrum™ Chemical
SDP

CAS: 79794-75-5 Molecular Formula: C22H23ClN2O2 Molecular Weight (g/mol): 382.89 InChI Key: JCCNYMKQOSZNPW-UHFFFAOYSA-N IUPAC Name: ethyl 4-{13-chloro-4-azatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaen-2-ylidene}piperidine-1-carboxylate SMILES: CCOC(=O)N1CCC(CC1)=C1C2=CC=C(Cl)C=C2CCC2=CC=CN=C12

CAS 79794-75-5
Molecular Weight (g/mol) 382.89
SMILES CCOC(=O)N1CCC(CC1)=C1C2=CC=C(Cl)C=C2CCC2=CC=CN=C12
IUPAC Name ethyl 4-{13-chloro-4-azatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaen-2-ylidene}piperidine-1-carboxylate
InChI Key JCCNYMKQOSZNPW-UHFFFAOYSA-N
Molecular Formula C22H23ClN2O2
10

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
11

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
12

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

CAS: 71125-38-7 Molecular Formula: C14H13N3O4S2 Molecular Weight (g/mol): 351.40 MDL Number: MFCD00868752 InChI Key: DWMREKMVXIFPFM-ACCUITESSA-N IUPAC Name: (3E)-3-{hydroxy[(5-methyl-1,3-thiazol-2-yl)amino]methylidene}-2-methyl-3,4-dihydro-2H-1λ⁶,2-benzothiazine-1,1,4-trione SMILES: CN1\C(=C(\O)NC2=NC=C(C)S2)C(=O)C2=CC=CC=C2S1(=O)=O

CAS 71125-38-7
Molecular Weight (g/mol) 351.40
MDL Number MFCD00868752
SMILES CN1\C(=C(\O)NC2=NC=C(C)S2)C(=O)C2=CC=CC=C2S1(=O)=O
IUPAC Name (3E)-3-{hydroxy[(5-methyl-1,3-thiazol-2-yl)amino]methylidene}-2-methyl-3,4-dihydro-2H-1λ⁶,2-benzothiazine-1,1,4-trione
InChI Key DWMREKMVXIFPFM-ACCUITESSA-N
Molecular Formula C14H13N3O4S2
13

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
14

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
15

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