Organoheterocyclic compounds
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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 |
(±)-Propylene oxide, 99.5%, extra pure
CAS: 75-56-9 Molecular Formula: C3H6O Molecular Weight (g/mol): 58.08 MDL Number: MFCD00005126 InChI Key: GOOHAUXETOMSMM-UHFFFAOYNA-N Synonym: propylene oxide,1,2-epoxypropane,methyloxirane,epoxypropane,propyleneoxide,propene oxide,oxirane, methyl,1,2-propylene oxide,propylene epoxide,2,3-epoxypropane PubChem CID: 6378 ChEBI: CHEBI:38685 IUPAC Name: 2-methyloxirane SMILES: CC1CO1
| PubChem CID | 6378 |
|---|---|
| CAS | 75-56-9 |
| Molecular Weight (g/mol) | 58.08 |
| ChEBI | CHEBI:38685 |
| MDL Number | MFCD00005126 |
| SMILES | CC1CO1 |
| Synonym | propylene oxide,1,2-epoxypropane,methyloxirane,epoxypropane,propyleneoxide,propene oxide,oxirane, methyl,1,2-propylene oxide,propylene epoxide,2,3-epoxypropane |
| IUPAC Name | 2-methyloxirane |
| InChI Key | GOOHAUXETOMSMM-UHFFFAOYNA-N |
| Molecular Formula | C3H6O |
2-Hydroxy-gamma-butyrolactone, 99%
CAS: 19444-84-9 Molecular Formula: C4H6O3 Molecular Weight (g/mol): 102.09 MDL Number: MFCD00134268,MFCD00211245 InChI Key: FWIBCWKHNZBDLS-UHFFFAOYNA-N Synonym: alpha-hydroxy-gamma-butyrolactone,3-hydroxydihydrofuran-2 3h-one,2-hydroxy-gamma-butyrolactone,3-hydroxytetrahydrofuran-2-one,2 3h-furanone, dihydrohydroxy,3s-3-hydroxydihydrofuran-2 3h-one,3-hydroxydihydro-2 3h-furanone,hydroxybutyrolactone,r-dihydro-3-hydroxyfuran-2 3h-one,2 3h-furanone, dihydro-3-hydroxy PubChem CID: 545831 IUPAC Name: 3-hydroxyoxolan-2-one SMILES: OC1CCOC1=O
| PubChem CID | 545831 |
|---|---|
| CAS | 19444-84-9 |
| Molecular Weight (g/mol) | 102.09 |
| MDL Number | MFCD00134268,MFCD00211245 |
| SMILES | OC1CCOC1=O |
| Synonym | alpha-hydroxy-gamma-butyrolactone,3-hydroxydihydrofuran-2 3h-one,2-hydroxy-gamma-butyrolactone,3-hydroxytetrahydrofuran-2-one,2 3h-furanone, dihydrohydroxy,3s-3-hydroxydihydrofuran-2 3h-one,3-hydroxydihydro-2 3h-furanone,hydroxybutyrolactone,r-dihydro-3-hydroxyfuran-2 3h-one,2 3h-furanone, dihydro-3-hydroxy |
| IUPAC Name | 3-hydroxyoxolan-2-one |
| InChI Key | FWIBCWKHNZBDLS-UHFFFAOYNA-N |
| Molecular Formula | C4H6O3 |
4-Imidazoleacetic acid hydrochloride, 98%
CAS: 3251-69-2 Molecular Formula: C5H7ClN2O2 Molecular Weight (g/mol): 162.57 MDL Number: MFCD00012698 InChI Key: MWHLCFYPFGFBQO-UHFFFAOYSA-N Synonym: 4-imidazoleacetic acid hydrochloride,2-1h-imidazol-5-yl acetic acid hydrochloride,imidazole-4-acetic acid hydrochloride,2-1h-imidazol-4-yl acetic acid hydrochloride,4-imidazoleacetic acid hcl,imidazoleacetic acid hydrochloride,unii-et7a74roao,4-imidazoleaceticacidhydrochloride,i4aa,et7a74roao PubChem CID: 145685 IUPAC Name: 2-(1H-imidazol-5-yl)acetic acid;hydrochloride SMILES: Cl.OC(=O)CC1=CN=CN1
| PubChem CID | 145685 |
|---|---|
| CAS | 3251-69-2 |
| Molecular Weight (g/mol) | 162.57 |
| MDL Number | MFCD00012698 |
| SMILES | Cl.OC(=O)CC1=CN=CN1 |
| Synonym | 4-imidazoleacetic acid hydrochloride,2-1h-imidazol-5-yl acetic acid hydrochloride,imidazole-4-acetic acid hydrochloride,2-1h-imidazol-4-yl acetic acid hydrochloride,4-imidazoleacetic acid hcl,imidazoleacetic acid hydrochloride,unii-et7a74roao,4-imidazoleaceticacidhydrochloride,i4aa,et7a74roao |
| IUPAC Name | 2-(1H-imidazol-5-yl)acetic acid;hydrochloride |
| InChI Key | MWHLCFYPFGFBQO-UHFFFAOYSA-N |
| Molecular Formula | C5H7ClN2O2 |
3-Methylindole, 99%
CAS: 83-34-1 Molecular Formula: C9H9N Molecular Weight (g/mol): 131.178 MDL Number: MFCD00005627 InChI Key: ZFRKQXVRDFCRJG-UHFFFAOYSA-N Synonym: 3-methylindole,skatole,scatole,skatol,1h-indole, 3-methyl,beta-methylindole,indole, 3-methyl,3-mi,3-methyl-4,5-benzopyrrole,3-methyl indole PubChem CID: 6736 ChEBI: CHEBI:9171 IUPAC Name: 3-methyl-1H-indole SMILES: CC1=CNC2=CC=CC=C12
| PubChem CID | 6736 |
|---|---|
| CAS | 83-34-1 |
| Molecular Weight (g/mol) | 131.178 |
| ChEBI | CHEBI:9171 |
| MDL Number | MFCD00005627 |
| SMILES | CC1=CNC2=CC=CC=C12 |
| Synonym | 3-methylindole,skatole,scatole,skatol,1h-indole, 3-methyl,beta-methylindole,indole, 3-methyl,3-mi,3-methyl-4,5-benzopyrrole,3-methyl indole |
| IUPAC Name | 3-methyl-1H-indole |
| InChI Key | ZFRKQXVRDFCRJG-UHFFFAOYSA-N |
| Molecular Formula | C9H9N |
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 |
2,5-Dimercapto-1,3,4-thiadiazole, 98%
CAS: 1072-71-5 Molecular Formula: C2H2N2S3 Molecular Weight (g/mol): 150.23 MDL Number: MFCD00003103 InChI Key: BIGYLAKFCGVRAN-UHFFFAOYSA-N Synonym: 1,3,4-thiadiazole-2,5-dithiol,2,5-dimercapto-1,3,4-thiadiazole,bismuthiol i,dimercaptothiadiazole,bismuththiol,2,5-dimercaptothiadiazole,usaf a-8354,bismuthiol,py 61h,bismuththiol i PubChem CID: 2723630 IUPAC Name: 1,3,4-thiadiazolidine-2,5-dithione SMILES: S=C1NNC(=S)S1
| PubChem CID | 2723630 |
|---|---|
| CAS | 1072-71-5 |
| Molecular Weight (g/mol) | 150.23 |
| MDL Number | MFCD00003103 |
| SMILES | S=C1NNC(=S)S1 |
| Synonym | 1,3,4-thiadiazole-2,5-dithiol,2,5-dimercapto-1,3,4-thiadiazole,bismuthiol i,dimercaptothiadiazole,bismuththiol,2,5-dimercaptothiadiazole,usaf a-8354,bismuthiol,py 61h,bismuththiol i |
| IUPAC Name | 1,3,4-thiadiazolidine-2,5-dithione |
| InChI Key | BIGYLAKFCGVRAN-UHFFFAOYSA-N |
| Molecular Formula | C2H2N2S3 |
1-(2-Aminoethyl)piperazine, 99%
CAS: 140-31-8 Molecular Formula: C6H15N3 Molecular Weight (g/mol): 129.21 MDL Number: MFCD00005971 InChI Key: IMUDHTPIFIBORV-UHFFFAOYSA-N Synonym: n-aminoethylpiperazine,n-2-aminoethyl piperazine,1-2-aminoethyl piperazine,2-piperazin-1-yl ethanamine,1-piperazineethanamine,aminoethylpiperazine,1-piperazineethylamine,1-aminoethylpiperazine,piperazineethanamine,piperazine, 1-2-aminoethyl PubChem CID: 8795 IUPAC Name: 2-piperazin-1-ylethanamine SMILES: NCCN1CCNCC1
| PubChem CID | 8795 |
|---|---|
| CAS | 140-31-8 |
| Molecular Weight (g/mol) | 129.21 |
| MDL Number | MFCD00005971 |
| SMILES | NCCN1CCNCC1 |
| Synonym | n-aminoethylpiperazine,n-2-aminoethyl piperazine,1-2-aminoethyl piperazine,2-piperazin-1-yl ethanamine,1-piperazineethanamine,aminoethylpiperazine,1-piperazineethylamine,1-aminoethylpiperazine,piperazineethanamine,piperazine, 1-2-aminoethyl |
| IUPAC Name | 2-piperazin-1-ylethanamine |
| InChI Key | IMUDHTPIFIBORV-UHFFFAOYSA-N |
| Molecular Formula | C6H15N3 |
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 |
EPPS, 99%
CAS: 16052-06-5 Molecular Formula: C9H20N2O4S Molecular Weight (g/mol): 252.329 MDL Number: MFCD00006160 InChI Key: OWXMKDGYPWMGEB-UHFFFAOYSA-N Synonym: hepps,epps,4-2-hydroxyethyl-1-piperazinepropanesulfonic acid,3-4-2-hydroxyethyl piperazin-1-yl propane-1-sulfonic acid,1-piperazinepropanesulfonic acid, 4-2-hydroxyethyl,n-2-hydroxyethyl piperazine-n'-3-propanesulfonic acid,4-2-hydroxyethyl piperazine-1-propanesulfonic acid,4-2-hydroxyethyl-1-piperazinepropane sulfonic acid,4-2-hydroxyethyl-1-piperazinepropanesulphonic acid PubChem CID: 85255 ChEBI: CHEBI:42298 IUPAC Name: 3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid SMILES: C1CN(CCN1CCCS(=O)(=O)O)CCO
| PubChem CID | 85255 |
|---|---|
| CAS | 16052-06-5 |
| Molecular Weight (g/mol) | 252.329 |
| ChEBI | CHEBI:42298 |
| MDL Number | MFCD00006160 |
| SMILES | C1CN(CCN1CCCS(=O)(=O)O)CCO |
| Synonym | hepps,epps,4-2-hydroxyethyl-1-piperazinepropanesulfonic acid,3-4-2-hydroxyethyl piperazin-1-yl propane-1-sulfonic acid,1-piperazinepropanesulfonic acid, 4-2-hydroxyethyl,n-2-hydroxyethyl piperazine-n'-3-propanesulfonic acid,4-2-hydroxyethyl piperazine-1-propanesulfonic acid,4-2-hydroxyethyl-1-piperazinepropane sulfonic acid,4-2-hydroxyethyl-1-piperazinepropanesulphonic acid |
| IUPAC Name | 3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid |
| InChI Key | OWXMKDGYPWMGEB-UHFFFAOYSA-N |
| Molecular Formula | C9H20N2O4S |
1,3-Dimethyl-2-imidazolidinone, 98%
CAS: 80-73-9 Molecular Formula: C5H10N2O Molecular Weight (g/mol): 114.15 MDL Number: MFCD00003188 InChI Key: CYSGHNMQYZDMIA-UHFFFAOYSA-N Synonym: 1,3-dimethyl-2-imidazolidinone,n,n'-dimethylethyleneurea,dimethyl imidazolidinone,n,n'-dimethylimidazolidinone,1,3-dimethylimidazolidone,rhonite 1,dmeu,karbomos tsem,2-imidazolidinone, 1,3-dimethyl,1,3-dimethylethyleneurea PubChem CID: 6661 IUPAC Name: 1,3-dimethylimidazolidin-2-one SMILES: CN1CCN(C)C1=O
| PubChem CID | 6661 |
|---|---|
| CAS | 80-73-9 |
| Molecular Weight (g/mol) | 114.15 |
| MDL Number | MFCD00003188 |
| SMILES | CN1CCN(C)C1=O |
| Synonym | 1,3-dimethyl-2-imidazolidinone,n,n'-dimethylethyleneurea,dimethyl imidazolidinone,n,n'-dimethylimidazolidinone,1,3-dimethylimidazolidone,rhonite 1,dmeu,karbomos tsem,2-imidazolidinone, 1,3-dimethyl,1,3-dimethylethyleneurea |
| IUPAC Name | 1,3-dimethylimidazolidin-2-one |
| InChI Key | CYSGHNMQYZDMIA-UHFFFAOYSA-N |
| Molecular Formula | C5H10N2O |
Caffeine, citrated
CAS: 69-22-7 Molecular Formula: C14H18N4O9 Molecular Weight (g/mol): 386.32 MDL Number: MFCD00044986 InChI Key: RCQXSQPPHJPGOF-UHFFFAOYSA-N Synonym: caffeine citrate,caffeine, citrated,caffeina citrate,citrated caffein,caffeine citrate 1:1,caffeine citrated,unii-u26eo4675q,citric acid, compd. with caffeine 1:1,1,2,3-propanetricarboxylic acid, 2-hydroxy-, mixt. with 3,7-dihydro-1,3,7-trimethyl-1h-purine-2,6-dione,dsstox_cid_26938 PubChem CID: 6241 IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid;1,3,7-trimethylpurine-2,6-dione SMILES: OC(=O)CC(O)(CC(O)=O)C(O)=O.CN1C=NC2=C1C(=O)N(C)C(=O)N2C
| PubChem CID | 6241 |
|---|---|
| CAS | 69-22-7 |
| Molecular Weight (g/mol) | 386.32 |
| MDL Number | MFCD00044986 |
| SMILES | OC(=O)CC(O)(CC(O)=O)C(O)=O.CN1C=NC2=C1C(=O)N(C)C(=O)N2C |
| Synonym | caffeine citrate,caffeine, citrated,caffeina citrate,citrated caffein,caffeine citrate 1:1,caffeine citrated,unii-u26eo4675q,citric acid, compd. with caffeine 1:1,1,2,3-propanetricarboxylic acid, 2-hydroxy-, mixt. with 3,7-dihydro-1,3,7-trimethyl-1h-purine-2,6-dione,dsstox_cid_26938 |
| IUPAC Name | 2-hydroxypropane-1,2,3-tricarboxylic acid;1,3,7-trimethylpurine-2,6-dione |
| InChI Key | RCQXSQPPHJPGOF-UHFFFAOYSA-N |
| Molecular Formula | C14H18N4O9 |
6-Aminonicotinic acid, 98%
CAS: 3167-49-5 Molecular Formula: C6H6N2O2 Molecular Weight (g/mol): 138.13 MDL Number: MFCD00006326 InChI Key: ZCIFWRHIEBXBOY-UHFFFAOYSA-N Synonym: 6-aminonicotinic acid,3-pyridinecarboxylic acid, 6-amino,2-amino-5-pyridinecarboxylic acid,6-amino-nicotinic acid,6-amino nicotinic acid,2-aminopyridine-5-carboxylic acid,nicotinic acid, 6-amino,unii-9vr2o1ok60,6-amino-3-pyridinecarboxylic acid,6-aminopyridine 3-carboxylic acid PubChem CID: 18496 ChEBI: CHEBI:68583 IUPAC Name: 6-aminopyridine-3-carboxylic acid SMILES: C1=CC(=NC=C1C(=O)O)N
| PubChem CID | 18496 |
|---|---|
| CAS | 3167-49-5 |
| Molecular Weight (g/mol) | 138.13 |
| ChEBI | CHEBI:68583 |
| MDL Number | MFCD00006326 |
| SMILES | C1=CC(=NC=C1C(=O)O)N |
| Synonym | 6-aminonicotinic acid,3-pyridinecarboxylic acid, 6-amino,2-amino-5-pyridinecarboxylic acid,6-amino-nicotinic acid,6-amino nicotinic acid,2-aminopyridine-5-carboxylic acid,nicotinic acid, 6-amino,unii-9vr2o1ok60,6-amino-3-pyridinecarboxylic acid,6-aminopyridine 3-carboxylic acid |
| IUPAC Name | 6-aminopyridine-3-carboxylic acid |
| InChI Key | ZCIFWRHIEBXBOY-UHFFFAOYSA-N |
| Molecular Formula | C6H6N2O2 |
5-Aminopyridine-2-carboxylic acid, 98%, Thermo Scientific™
CAS: 24242-20-4 Molecular Formula: C6H6N2O2 Molecular Weight (g/mol): 138.13 InChI Key: WDJARUKOMOGTHA-UHFFFAOYSA-N Synonym: 5-amino-2-pyridinecarboxylic acid,5-aminopicolinic acid,5-amino-2-picolinic acid,2-pyridinecarboxylic acid, 5-amino,5-amino-pyridine-2-carboxylic acid,5-amino-2-pyridinecarboxylicacid,pubchem15896,5-amino-2-carboxypyridine,acmc-209ga3,ksc201o9n PubChem CID: 4179726 IUPAC Name: 5-aminopyridine-2-carboxylic acid SMILES: C1=CC(=NC=C1N)C(=O)O
| PubChem CID | 4179726 |
|---|---|
| CAS | 24242-20-4 |
| Molecular Weight (g/mol) | 138.13 |
| SMILES | C1=CC(=NC=C1N)C(=O)O |
| Synonym | 5-amino-2-pyridinecarboxylic acid,5-aminopicolinic acid,5-amino-2-picolinic acid,2-pyridinecarboxylic acid, 5-amino,5-amino-pyridine-2-carboxylic acid,5-amino-2-pyridinecarboxylicacid,pubchem15896,5-amino-2-carboxypyridine,acmc-209ga3,ksc201o9n |
| IUPAC Name | 5-aminopyridine-2-carboxylic acid |
| InChI Key | WDJARUKOMOGTHA-UHFFFAOYSA-N |
| Molecular Formula | C6H6N2O2 |
Succinimide, 98%
CAS: 123-56-8 Molecular Formula: C4H5NO2 Molecular Weight (g/mol): 99.08 MDL Number: MFCD00005495 InChI Key: KZNICNPSHKQLFF-UHFFFAOYSA-N Synonym: succinimide,2,5-pyrrolidinedione,butanimide,succinic acid imide,2,5-dioxopyrrolidine,2,5-diketopyrrolidine,succinic imide,succinimide-sauba,3,4-dihydropyrrole-2,5-dione,dihydro-3-pyrroline-2,5-dione PubChem CID: 11439 ChEBI: CHEBI:9307 IUPAC Name: pyrrolidine-2,5-dione SMILES: C1CC(=O)NC1=O
| PubChem CID | 11439 |
|---|---|
| CAS | 123-56-8 |
| Molecular Weight (g/mol) | 99.08 |
| ChEBI | CHEBI:9307 |
| MDL Number | MFCD00005495 |
| SMILES | C1CC(=O)NC1=O |
| Synonym | succinimide,2,5-pyrrolidinedione,butanimide,succinic acid imide,2,5-dioxopyrrolidine,2,5-diketopyrrolidine,succinic imide,succinimide-sauba,3,4-dihydropyrrole-2,5-dione,dihydro-3-pyrroline-2,5-dione |
| IUPAC Name | pyrrolidine-2,5-dione |
| InChI Key | KZNICNPSHKQLFF-UHFFFAOYSA-N |
| Molecular Formula | C4H5NO2 |