Organoheterocyclic compounds
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3-Thiopheneacetic acid, 98%
CAS: 6964-21-2 Molecular Formula: C6H6O2S Molecular Weight (g/mol): 142.172 MDL Number: MFCD00005473 InChI Key: RCNOGGGBSSVMAS-UHFFFAOYSA-N Synonym: 3-thiopheneacetic acid,3-thienylacetic acid,2-thiophen-3-yl acetic acid,thiophene-3-acetic acid,thiophen-3-yl-acetic acid,3-thiophenacetic acid,thien-3-ylacetic acid,3-thiopheneethanoic acid,thiophen-3-ylacetic acid,2-3-thienyl acetic acid PubChem CID: 23404 IUPAC Name: 2-thiophen-3-ylacetic acid SMILES: C1=CSC=C1CC(=O)O
| PubChem CID | 23404 |
|---|---|
| CAS | 6964-21-2 |
| Molecular Weight (g/mol) | 142.172 |
| MDL Number | MFCD00005473 |
| SMILES | C1=CSC=C1CC(=O)O |
| Synonym | 3-thiopheneacetic acid,3-thienylacetic acid,2-thiophen-3-yl acetic acid,thiophene-3-acetic acid,thiophen-3-yl-acetic acid,3-thiophenacetic acid,thien-3-ylacetic acid,3-thiopheneethanoic acid,thiophen-3-ylacetic acid,2-3-thienyl acetic acid |
| IUPAC Name | 2-thiophen-3-ylacetic acid |
| InChI Key | RCNOGGGBSSVMAS-UHFFFAOYSA-N |
| Molecular Formula | C6H6O2S |
2-Furoic acid, 98%
CAS: 88-14-2 MDL Number: MFCD00003238 InChI Key: SMNDYUVBFMFKNZ-UHFFFAOYSA-N Synonym: 2-furoic acid,2-furancarboxylic acid,pyromucic acid,2-carboxyfuran,furoic acid,furancarboxylic acid,alpha-furoic acid,alpha-furancarboxylic acid,2-furanoic acid,kyselina 2-furoova PubChem CID: 6919 ChEBI: CHEBI:30845 IUPAC Name: furan-2-carboxylic acid SMILES: C1=COC(=C1)C(=O)O
| PubChem CID | 6919 |
|---|---|
| CAS | 88-14-2 |
| ChEBI | CHEBI:30845 |
| MDL Number | MFCD00003238 |
| SMILES | C1=COC(=C1)C(=O)O |
| Synonym | 2-furoic acid,2-furancarboxylic acid,pyromucic acid,2-carboxyfuran,furoic acid,furancarboxylic acid,alpha-furoic acid,alpha-furancarboxylic acid,2-furanoic acid,kyselina 2-furoova |
| IUPAC Name | furan-2-carboxylic acid |
| InChI Key | SMNDYUVBFMFKNZ-UHFFFAOYSA-N |
N-Hydroxysuccinimide, 98+%
CAS: 6066-82-6 Molecular Formula: C4H5NO3 Molecular Weight (g/mol): 115.088 MDL Number: MFCD00005516 InChI Key: NQTADLQHYWFPDB-UHFFFAOYSA-N Synonym: n-hydroxysuccinimide,hosu,1-hydroxysuccinimide,2,5-pyrrolidinedione, 1-hydroxy,1-hydroxy-2,5-pyrrolidinedione,succinimide, n-hydroxy,n-hydroxysuccinimde,n-hydroxysuccinimid,unii-mje3791m4t,ccris 2604 PubChem CID: 80170 IUPAC Name: 1-hydroxypyrrolidine-2,5-dione SMILES: C1CC(=O)N(C1=O)O
| PubChem CID | 80170 |
|---|---|
| CAS | 6066-82-6 |
| Molecular Weight (g/mol) | 115.088 |
| MDL Number | MFCD00005516 |
| SMILES | C1CC(=O)N(C1=O)O |
| Synonym | n-hydroxysuccinimide,hosu,1-hydroxysuccinimide,2,5-pyrrolidinedione, 1-hydroxy,1-hydroxy-2,5-pyrrolidinedione,succinimide, n-hydroxy,n-hydroxysuccinimde,n-hydroxysuccinimid,unii-mje3791m4t,ccris 2604 |
| IUPAC Name | 1-hydroxypyrrolidine-2,5-dione |
| InChI Key | NQTADLQHYWFPDB-UHFFFAOYSA-N |
| Molecular Formula | C4H5NO3 |
2-[3,4-(Methylenedioxy)phenyl]ethylamine, 95%
CAS: 1484-85-1 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.192 MDL Number: MFCD00060509 InChI Key: RRIRDPSOCUCGBV-UHFFFAOYSA-N Synonym: homopiperonylamine,3,4-methylenedioxyphenethylamine,methylenedioxyphenethylamine,1,3-benzodioxole-5-ethanamine,2-1,3-benzodioxol-5-yl ethanamine,2-benzo d 1,3 dioxol-5-yl ethanamine,methylenedioxyphenylethylamine,benzo-1,3-dioxole-5-ethylamine,3,4-methylenedioxyphenyl ethylamine,phenethylamine, 3,4-methylenedioxy PubChem CID: 73874 IUPAC Name: 2-(1,3-benzodioxol-5-yl)ethanamine SMILES: C1OC2=C(O1)C=C(C=C2)CCN
| PubChem CID | 73874 |
|---|---|
| CAS | 1484-85-1 |
| Molecular Weight (g/mol) | 165.192 |
| MDL Number | MFCD00060509 |
| SMILES | C1OC2=C(O1)C=C(C=C2)CCN |
| Synonym | homopiperonylamine,3,4-methylenedioxyphenethylamine,methylenedioxyphenethylamine,1,3-benzodioxole-5-ethanamine,2-1,3-benzodioxol-5-yl ethanamine,2-benzo d 1,3 dioxol-5-yl ethanamine,methylenedioxyphenylethylamine,benzo-1,3-dioxole-5-ethylamine,3,4-methylenedioxyphenyl ethylamine,phenethylamine, 3,4-methylenedioxy |
| IUPAC Name | 2-(1,3-benzodioxol-5-yl)ethanamine |
| InChI Key | RRIRDPSOCUCGBV-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO2 |
(±)-Epichlorohydrin, 99%
CAS: 106-89-8 Molecular Formula: C3H5ClO Molecular Weight (g/mol): 92.522 MDL Number: MFCD00005132 InChI Key: BRLQWZUYTZBJKN-UHFFFAOYSA-N Synonym: epichlorohydrin,2-chloromethyl oxirane,epichlorhydrin,1-chloro-2,3-epoxypropane,glycidyl chloride,oxirane, chloromethyl,epichlorhydrine,1,2-epoxy-3-chloropropane,2,3-epoxypropyl chloride,chloropropylene oxide PubChem CID: 7835 ChEBI: CHEBI:37144 IUPAC Name: 2-(chloromethyl)oxirane SMILES: C1C(O1)CCl
| PubChem CID | 7835 |
|---|---|
| CAS | 106-89-8 |
| Molecular Weight (g/mol) | 92.522 |
| ChEBI | CHEBI:37144 |
| MDL Number | MFCD00005132 |
| SMILES | C1C(O1)CCl |
| Synonym | epichlorohydrin,2-chloromethyl oxirane,epichlorhydrin,1-chloro-2,3-epoxypropane,glycidyl chloride,oxirane, chloromethyl,epichlorhydrine,1,2-epoxy-3-chloropropane,2,3-epoxypropyl chloride,chloropropylene oxide |
| IUPAC Name | 2-(chloromethyl)oxirane |
| InChI Key | BRLQWZUYTZBJKN-UHFFFAOYSA-N |
| Molecular Formula | C3H5ClO |
N-(2-Hydroxyethyl)hexamethyleneimine, 95%
CAS: 20603-00-3 Molecular Formula: C8H17NO Molecular Weight (g/mol): 143.23 MDL Number: MFCD00020988 InChI Key: VMRYMOMQCYSPHS-UHFFFAOYSA-N Synonym: 2-azepan-1-yl ethanol,hexahydro-1h-azepine-1-ethanol,n-2-hydroxyethyl hexamethyleneimine,2-azepan-1-yl ethan-1-ol,2-hexamethyleneimino ethanol,2-azaperhydroepinylethan-1-ol,2-azepan-1-ylethan-1-ol,2-azepan-1-yl ;ethanol,2-n-hexamethyleneimino ethanol,1-2-hydroxyethyl homopiperidine PubChem CID: 88615 IUPAC Name: 2-(azepan-1-yl)ethanol SMILES: C1CCCN(CC1)CCO
| PubChem CID | 88615 |
|---|---|
| CAS | 20603-00-3 |
| Molecular Weight (g/mol) | 143.23 |
| MDL Number | MFCD00020988 |
| SMILES | C1CCCN(CC1)CCO |
| Synonym | 2-azepan-1-yl ethanol,hexahydro-1h-azepine-1-ethanol,n-2-hydroxyethyl hexamethyleneimine,2-azepan-1-yl ethan-1-ol,2-hexamethyleneimino ethanol,2-azaperhydroepinylethan-1-ol,2-azepan-1-ylethan-1-ol,2-azepan-1-yl ;ethanol,2-n-hexamethyleneimino ethanol,1-2-hydroxyethyl homopiperidine |
| IUPAC Name | 2-(azepan-1-yl)ethanol |
| InChI Key | VMRYMOMQCYSPHS-UHFFFAOYSA-N |
| Molecular Formula | C8H17NO |
Cycloheximide, from Microbial, MP Biomedicals™
CAS: 66-81-9 Molecular Formula: C15H23NO4 Molecular Weight (g/mol): 281.35 MDL Number: MFCD00082346 InChI Key: YPHMISFOHDHNIV-QTEFRXOUNA-N Synonym: cycloheximide,actidione,cycloheximide,naramycin a,kaken,actidion,actidone,hizarocin,naramycin,neocycloheximide PubChem CID: 6197 ChEBI: CHEBI:27641 IUPAC Name: 4-[(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]piperidine-2,6-dione SMILES: [H][C@]1(C[C@@H](C)C[C@H](C)C1=O)[C@H](O)CC1CC(=O)NC(=O)C1
| PubChem CID | 6197 |
|---|---|
| CAS | 66-81-9 |
| Molecular Weight (g/mol) | 281.35 |
| ChEBI | CHEBI:27641 |
| MDL Number | MFCD00082346 |
| SMILES | [H][C@]1(C[C@@H](C)C[C@H](C)C1=O)[C@H](O)CC1CC(=O)NC(=O)C1 |
| Synonym | cycloheximide,actidione,cycloheximide,naramycin a,kaken,actidion,actidone,hizarocin,naramycin,neocycloheximide |
| IUPAC Name | 4-[(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]piperidine-2,6-dione |
| InChI Key | YPHMISFOHDHNIV-QTEFRXOUNA-N |
| Molecular Formula | C15H23NO4 |
Pirenzepine dihydrochloride, 99%
CAS: 29868-97-1 Molecular Formula: C19H23Cl2N5O2 Molecular Weight (g/mol): 424.326 MDL Number: MFCD00055214 InChI Key: FFNMBRCFFADNAO-UHFFFAOYSA-N Synonym: pirenzepine dihydrochloride,pirenzepine hydrochloride,tabe,bisvanil,leblon,maghen,pirenzepine hcl,pirenzepine 2hcl,ls 519 dihydrochloride,unii-10ym403fls PubChem CID: 71405 ChEBI: CHEBI:32014 IUPAC Name: 11-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one;dihydrochloride SMILES: CN1CCN(CC1)CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4.Cl.Cl
| PubChem CID | 71405 |
|---|---|
| CAS | 29868-97-1 |
| Molecular Weight (g/mol) | 424.326 |
| ChEBI | CHEBI:32014 |
| MDL Number | MFCD00055214 |
| SMILES | CN1CCN(CC1)CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4.Cl.Cl |
| Synonym | pirenzepine dihydrochloride,pirenzepine hydrochloride,tabe,bisvanil,leblon,maghen,pirenzepine hcl,pirenzepine 2hcl,ls 519 dihydrochloride,unii-10ym403fls |
| IUPAC Name | 11-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one;dihydrochloride |
| InChI Key | FFNMBRCFFADNAO-UHFFFAOYSA-N |
| Molecular Formula | C19H23Cl2N5O2 |
Isophthalic acid, 99%
CAS: 121-91-5 Molecular Formula: C8H6O4 Molecular Weight (g/mol): 166.132 MDL Number: MFCD00002516 InChI Key: QQVIHTHCMHWDBS-UHFFFAOYSA-N Synonym: isophthalic acid,1,3-benzenedicarboxylic acid,m-phthalic acid,m-benzenedicarboxylic acid,acide isophtalique,kyselina isoftalova,iso-phthalic acid,acide isophtalique french,kyselina isoftalova czech,unii-x35216h9fj PubChem CID: 8496 ChEBI: CHEBI:30802 IUPAC Name: benzene-1,3-dicarboxylic acid SMILES: C1=CC(=CC(=C1)C(=O)O)C(=O)O
| PubChem CID | 8496 |
|---|---|
| CAS | 121-91-5 |
| Molecular Weight (g/mol) | 166.132 |
| ChEBI | CHEBI:30802 |
| MDL Number | MFCD00002516 |
| SMILES | C1=CC(=CC(=C1)C(=O)O)C(=O)O |
| Synonym | isophthalic acid,1,3-benzenedicarboxylic acid,m-phthalic acid,m-benzenedicarboxylic acid,acide isophtalique,kyselina isoftalova,iso-phthalic acid,acide isophtalique french,kyselina isoftalova czech,unii-x35216h9fj |
| IUPAC Name | benzene-1,3-dicarboxylic acid |
| InChI Key | QQVIHTHCMHWDBS-UHFFFAOYSA-N |
| Molecular Formula | C8H6O4 |
1,8-Diazabicyclo[5.4.0]undec-7-ene, 98+%
CAS: 6674-22-2 Molecular Formula: C9H16N2 Molecular Weight (g/mol): 152.241 MDL Number: MFCD00006930 InChI Key: GQHTUMJGOHRCHB-UHFFFAOYSA-N Synonym: 1,8-diazabicyclo 5.4.0 undec-7-ene,2,3,4,6,7,8,9,10-octahydropyrimido 1,2-a azepine,polycat dbu,dbu,unii-h1ilj6ibux,pyrimido 1,2-a azepine, 2,3,4,6,7,8,9,10-octahydro,1,8-diazabicyclo 5.4.0-7-undecene,h1ilj6ibux,1,8-diazabicyclo 5,4,0 undec-7-ene PubChem CID: 81184 IUPAC Name: 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine SMILES: C1CCC2=NCCCN2CC1
| PubChem CID | 81184 |
|---|---|
| CAS | 6674-22-2 |
| Molecular Weight (g/mol) | 152.241 |
| MDL Number | MFCD00006930 |
| SMILES | C1CCC2=NCCCN2CC1 |
| Synonym | 1,8-diazabicyclo 5.4.0 undec-7-ene,2,3,4,6,7,8,9,10-octahydropyrimido 1,2-a azepine,polycat dbu,dbu,unii-h1ilj6ibux,pyrimido 1,2-a azepine, 2,3,4,6,7,8,9,10-octahydro,1,8-diazabicyclo 5.4.0-7-undecene,h1ilj6ibux,1,8-diazabicyclo 5,4,0 undec-7-ene |
| IUPAC Name | 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine |
| InChI Key | GQHTUMJGOHRCHB-UHFFFAOYSA-N |
| Molecular Formula | C9H16N2 |
Picloram, 95%
CAS: 2-1-1918 Molecular Formula: C6H3Cl3N2O2 Molecular Weight (g/mol): 241.45 MDL Number: MFCD00012101 InChI Key: NQQVFXUMIDALNH-UHFFFAOYSA-N Synonym: picloram,4-amino-3,5,6-trichloropicolinic acid,tordon,borolin,grazon,amdon,2-pyridinecarboxylic acid, 4-amino-3,5,6-trichloro,k-pin,tordon 10k,tordon 22k PubChem CID: 15965 ChEBI: CHEBI:34922 IUPAC Name: 4-amino-3,5,6-trichloropyridine-2-carboxylic acid SMILES: C1(=C(C(=NC(=C1Cl)Cl)C(=O)O)Cl)N
| PubChem CID | 15965 |
|---|---|
| CAS | 2-1-1918 |
| Molecular Weight (g/mol) | 241.45 |
| ChEBI | CHEBI:34922 |
| MDL Number | MFCD00012101 |
| SMILES | C1(=C(C(=NC(=C1Cl)Cl)C(=O)O)Cl)N |
| Synonym | picloram,4-amino-3,5,6-trichloropicolinic acid,tordon,borolin,grazon,amdon,2-pyridinecarboxylic acid, 4-amino-3,5,6-trichloro,k-pin,tordon 10k,tordon 22k |
| IUPAC Name | 4-amino-3,5,6-trichloropyridine-2-carboxylic acid |
| InChI Key | NQQVFXUMIDALNH-UHFFFAOYSA-N |
| Molecular Formula | C6H3Cl3N2O2 |
Indole-3-carboxylic acid, 99%
CAS: 771-50-6 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 MDL Number: MFCD00005624 InChI Key: KMAKOBLIOCQGJP-UHFFFAOYSA-N Synonym: indole-3-carboxylic acid,3-indoleformic acid,3-carboxyindole,indole-3-carboxylicacid,3-indolecarboxylic acid,indole-3-carboxylate,3-indolylcarboxylic acid,beta-indolylcarboxylic acid,indole-3 carboxylic acid,ico PubChem CID: 69867 ChEBI: CHEBI:24809 IUPAC Name: 1H-indole-3-carboxylic acid SMILES: C1=CC=C2C(=C1)C(=CN2)C(=O)O
| PubChem CID | 69867 |
|---|---|
| CAS | 771-50-6 |
| Molecular Weight (g/mol) | 161.16 |
| ChEBI | CHEBI:24809 |
| MDL Number | MFCD00005624 |
| SMILES | C1=CC=C2C(=C1)C(=CN2)C(=O)O |
| Synonym | indole-3-carboxylic acid,3-indoleformic acid,3-carboxyindole,indole-3-carboxylicacid,3-indolecarboxylic acid,indole-3-carboxylate,3-indolylcarboxylic acid,beta-indolylcarboxylic acid,indole-3 carboxylic acid,ico |
| IUPAC Name | 1H-indole-3-carboxylic acid |
| InChI Key | KMAKOBLIOCQGJP-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO2 |
Ethyl 1,3-dithiane-2-carboxylate, 98+%
CAS: 20462-00-4 Molecular Formula: C7H12O2S2 Molecular Weight (g/mol): 192.291 MDL Number: MFCD00006657 InChI Key: ANEDZEVDORCLPM-UHFFFAOYSA-N Synonym: 1,3-dithiane-2-carboxylic acid ethyl ester,carboethoxy-1,3-dithiane,2-carboethoxy-1,3-dithiane,1,3-dithiane-2-carboxylic acid, ethyl ester,1,3 dithiane-2-carboxylic acid ethyl ester,pubchem22055,acmc-1cpb7,2-carboethoxy 1,3-dithiane,2-ethoxycarbonyl-1,3-dithiane,ethyl 1,3 dithiane carboxylate PubChem CID: 88552 IUPAC Name: ethyl 1,3-dithiane-2-carboxylate SMILES: CCOC(=O)C1SCCCS1
| PubChem CID | 88552 |
|---|---|
| CAS | 20462-00-4 |
| Molecular Weight (g/mol) | 192.291 |
| MDL Number | MFCD00006657 |
| SMILES | CCOC(=O)C1SCCCS1 |
| Synonym | 1,3-dithiane-2-carboxylic acid ethyl ester,carboethoxy-1,3-dithiane,2-carboethoxy-1,3-dithiane,1,3-dithiane-2-carboxylic acid, ethyl ester,1,3 dithiane-2-carboxylic acid ethyl ester,pubchem22055,acmc-1cpb7,2-carboethoxy 1,3-dithiane,2-ethoxycarbonyl-1,3-dithiane,ethyl 1,3 dithiane carboxylate |
| IUPAC Name | ethyl 1,3-dithiane-2-carboxylate |
| InChI Key | ANEDZEVDORCLPM-UHFFFAOYSA-N |
| Molecular Formula | C7H12O2S2 |
Brucine, 99%, anhydrous
CAS: 357-57-3 Molecular Formula: C23H26N2O4 Molecular Weight (g/mol): 394.46 MDL Number: MFCD00005942 InChI Key: RRKTZKIUPZVBMF-VLTSECPOSA-N Synonym: brucine, anhydrous,brucine:strychnidin-10-one,2,3-dimethoxy PubChem CID: 51413923 IUPAC Name: (4aR,5aS,8aR,13aS,15aR,15bS)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinoline-14-one SMILES: COC1=C(C=C2C(=C1)C34CCN5C3CC6C7C4N2C(=O)CC7OCC=C6C5)OC
| PubChem CID | 51413923 |
|---|---|
| CAS | 357-57-3 |
| Molecular Weight (g/mol) | 394.46 |
| MDL Number | MFCD00005942 |
| SMILES | COC1=C(C=C2C(=C1)C34CCN5C3CC6C7C4N2C(=O)CC7OCC=C6C5)OC |
| Synonym | brucine, anhydrous,brucine:strychnidin-10-one,2,3-dimethoxy |
| IUPAC Name | (4aR,5aS,8aR,13aS,15aR,15bS)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinoline-14-one |
| InChI Key | RRKTZKIUPZVBMF-VLTSECPOSA-N |
| Molecular Formula | C23H26N2O4 |
Phthalide, 99%
CAS: 87-41-2 MDL Number: MFCD00005906 InChI Key: WNZQDUSMALZDQF-UHFFFAOYSA-N Synonym: phthalide,isobenzofuran-1 3h-one,1 3h-isobenzofuranone,1-phthalanone,phthalolactone,2-benzofuran-1 3h-one,isobenzofuranone,phthalanone,3h-isobenzofuran-1-one,2-hydroxymethylbenzoic acid, gamma-lactone PubChem CID: 6885 ChEBI: CHEBI:38085 IUPAC Name: 3H-2-benzofuran-1-one SMILES: C1C2=CC=CC=C2C(=O)O1
| PubChem CID | 6885 |
|---|---|
| CAS | 87-41-2 |
| ChEBI | CHEBI:38085 |
| MDL Number | MFCD00005906 |
| SMILES | C1C2=CC=CC=C2C(=O)O1 |
| Synonym | phthalide,isobenzofuran-1 3h-one,1 3h-isobenzofuranone,1-phthalanone,phthalolactone,2-benzofuran-1 3h-one,isobenzofuranone,phthalanone,3h-isobenzofuran-1-one,2-hydroxymethylbenzoic acid, gamma-lactone |
| IUPAC Name | 3H-2-benzofuran-1-one |
| InChI Key | WNZQDUSMALZDQF-UHFFFAOYSA-N |