Organoheterocyclic compounds
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D-(-)-Pantolactone, 99%
CAS: 599-04-2 Molecular Formula: C6H10O3 Molecular Weight (g/mol): 130.143 MDL Number: MFCD00005392 InChI Key: SERHXTVXHNVDKA-BYPYZUCNSA-N Synonym: d---pantolactone,r-pantolactone,d-pantolactone,r-pantoyl lactone,d---pantoyl lactone,pantothenic lactone,r-3-hydroxy-4,4-dimethyldihydrofuran-2 3h-one,unii-j288d7o0js,2 3h-furanone, dihydro-3-hydroxy-4,4-dimethyl-, 3r,r---pantolactone PubChem CID: 439368 ChEBI: CHEBI:16719 IUPAC Name: (3R)-3-hydroxy-4,4-dimethyloxolan-2-one SMILES: CC1(COC(=O)C1O)C
| PubChem CID | 439368 |
|---|---|
| CAS | 599-04-2 |
| Molecular Weight (g/mol) | 130.143 |
| ChEBI | CHEBI:16719 |
| MDL Number | MFCD00005392 |
| SMILES | CC1(COC(=O)C1O)C |
| Synonym | d---pantolactone,r-pantolactone,d-pantolactone,r-pantoyl lactone,d---pantoyl lactone,pantothenic lactone,r-3-hydroxy-4,4-dimethyldihydrofuran-2 3h-one,unii-j288d7o0js,2 3h-furanone, dihydro-3-hydroxy-4,4-dimethyl-, 3r,r---pantolactone |
| IUPAC Name | (3R)-3-hydroxy-4,4-dimethyloxolan-2-one |
| InChI Key | SERHXTVXHNVDKA-BYPYZUCNSA-N |
| Molecular Formula | C6H10O3 |
2-Methyl-2-thiazoline, 97%
CAS: 2346-00-1 Molecular Formula: C4H7NS Molecular Weight (g/mol): 101.17 MDL Number: MFCD00005314 InChI Key: JUIQOABNSLTJSW-UHFFFAOYSA-N Synonym: 2-methyl-2-thiazoline,2-methylthiazoline,thiazole, 4,5-dihydro-2-methyl,2-methyl-4,5-dihydrothiazole,4,5-dihydro-2-methylthiazole,methyl-2-thiazoline,2-thiazoline, 2-methyl,unii-8z6ua8v7wn,methyl-2 delta-2 thiazoline,methyl-2 delta-2 thiazoline french PubChem CID: 16867 IUPAC Name: 2-methyl-4,5-dihydro-1,3-thiazole SMILES: CC1=NCCS1
| PubChem CID | 16867 |
|---|---|
| CAS | 2346-00-1 |
| Molecular Weight (g/mol) | 101.17 |
| MDL Number | MFCD00005314 |
| SMILES | CC1=NCCS1 |
| Synonym | 2-methyl-2-thiazoline,2-methylthiazoline,thiazole, 4,5-dihydro-2-methyl,2-methyl-4,5-dihydrothiazole,4,5-dihydro-2-methylthiazole,methyl-2-thiazoline,2-thiazoline, 2-methyl,unii-8z6ua8v7wn,methyl-2 delta-2 thiazoline,methyl-2 delta-2 thiazoline french |
| IUPAC Name | 2-methyl-4,5-dihydro-1,3-thiazole |
| InChI Key | JUIQOABNSLTJSW-UHFFFAOYSA-N |
| Molecular Formula | C4H7NS |
Sparfloxacin, 98%
CAS: 110871-86-8 Molecular Formula: C19H22F2N4O3 Molecular Weight (g/mol): 392.41 MDL Number: MFCD00869619 InChI Key: DZZWHBIBMUVIIW-DTORHVGOSA-N Synonym: sparfloxacin,zagam,esparfloxacino,sparfloxacine,sparfloxacinum,spara,sparfloxacine inn-french,sparfloxacinum inn-latin,spfx,esparfloxacino inn-spanish PubChem CID: 60464 ChEBI: CHEBI:9212 IUPAC Name: 5-amino-1-cyclopropyl-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid SMILES: C[C@H]1CN(C[C@@H](C)N1)C1=C(F)C(N)=C2C(=O)C(=CN(C3CC3)C2=C1F)C(O)=O
| PubChem CID | 60464 |
|---|---|
| CAS | 110871-86-8 |
| Molecular Weight (g/mol) | 392.41 |
| ChEBI | CHEBI:9212 |
| MDL Number | MFCD00869619 |
| SMILES | C[C@H]1CN(C[C@@H](C)N1)C1=C(F)C(N)=C2C(=O)C(=CN(C3CC3)C2=C1F)C(O)=O |
| Synonym | sparfloxacin,zagam,esparfloxacino,sparfloxacine,sparfloxacinum,spara,sparfloxacine inn-french,sparfloxacinum inn-latin,spfx,esparfloxacino inn-spanish |
| IUPAC Name | 5-amino-1-cyclopropyl-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid |
| InChI Key | DZZWHBIBMUVIIW-DTORHVGOSA-N |
| Molecular Formula | C19H22F2N4O3 |
2-Amino-1,3,5-triazine, 98%
CAS: 4122-04-7 Molecular Formula: C3H4N4 Molecular Weight (g/mol): 96.09 InChI Key: KCZIUKYAJJEIQG-UHFFFAOYSA-N
| CAS | 4122-04-7 |
|---|---|
| Molecular Weight (g/mol) | 96.09 |
| InChI Key | KCZIUKYAJJEIQG-UHFFFAOYSA-N |
| Molecular Formula | C3H4N4 |
2-(3-Bromopropoxy)tetrahydro-2H-pyran, 98%, stabilized with potassium carbonate, Thermo Scientific Chemicals
CAS: 33821-94-2 Molecular Formula: C8H15BrO2 Molecular Weight (g/mol): 223.1 InChI Key: HJNHUFQGDJLQRS-UHFFFAOYSA-N Synonym: 2-3-bromopropoxy tetrahydro-2h-pyran,2-3-bromopropoxy oxane,2-3-bromopropoxy-tetrahydro-2h-pyran,2-3-bromopropoxy tetrahydropyran,1-bromo-3-tetrahydropyranyloxypropane,2-3-bromo-propoxy-tetrahydro-pyran,2h-pyran, 2-3-bromopropoxy tetrahydro,acmc-1cjr6,1-bromo-3-2-oxanyloxy propane PubChem CID: 2777988 IUPAC Name: 2-(3-bromopropoxy)oxane SMILES: C1CCOC(C1)OCCCBr
| PubChem CID | 2777988 |
|---|---|
| CAS | 33821-94-2 |
| Molecular Weight (g/mol) | 223.1 |
| SMILES | C1CCOC(C1)OCCCBr |
| Synonym | 2-3-bromopropoxy tetrahydro-2h-pyran,2-3-bromopropoxy oxane,2-3-bromopropoxy-tetrahydro-2h-pyran,2-3-bromopropoxy tetrahydropyran,1-bromo-3-tetrahydropyranyloxypropane,2-3-bromo-propoxy-tetrahydro-pyran,2h-pyran, 2-3-bromopropoxy tetrahydro,acmc-1cjr6,1-bromo-3-2-oxanyloxy propane |
| IUPAC Name | 2-(3-bromopropoxy)oxane |
| InChI Key | HJNHUFQGDJLQRS-UHFFFAOYSA-N |
| Molecular Formula | C8H15BrO2 |
1-Boc-4-(2-hydroxyethyl)piperazine, 97%
CAS: 77279-24-4 Molecular Formula: C11H22N2O3 Molecular Weight (g/mol): 230.308 MDL Number: MFCD00728947 InChI Key: VRXIOAYUQIITBU-UHFFFAOYSA-N Synonym: tert-butyl 4-2-hydroxyethyl piperazine-1-carboxylate,1-boc-4-2-hydroxyethyl piperazine,1-tert-butyloxy carbonyl-4-hydroxyethyl piperazine,tert-butyl 4-2-hydroxyethyl tetrahydro-1 2h-pyrazinecarboxylate,1-boc-4-2-hydroxyethyl-piperazine,4-2-hydroxy-ethyl-piperazine-1-carboxylic acid tert-butyl ester,1-piperazinecarboxylic acid, 4-2-hydroxyethyl-, 1,1-dimethylethyl ester,1-tert-butoxycarbonyl-4-2-hydroxyethyl piperazine,tert-butyl 4-2-hydroxyethyl-1-piperazinecarboxylate,4-2-hydroxyethyl piperazine-1-carboxylic acid tert-butyl ester PubChem CID: 735736 IUPAC Name: tert-butyl 4-(2-hydroxyethyl)piperazine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCN(CC1)CCO
| PubChem CID | 735736 |
|---|---|
| CAS | 77279-24-4 |
| Molecular Weight (g/mol) | 230.308 |
| MDL Number | MFCD00728947 |
| SMILES | CC(C)(C)OC(=O)N1CCN(CC1)CCO |
| Synonym | tert-butyl 4-2-hydroxyethyl piperazine-1-carboxylate,1-boc-4-2-hydroxyethyl piperazine,1-tert-butyloxy carbonyl-4-hydroxyethyl piperazine,tert-butyl 4-2-hydroxyethyl tetrahydro-1 2h-pyrazinecarboxylate,1-boc-4-2-hydroxyethyl-piperazine,4-2-hydroxy-ethyl-piperazine-1-carboxylic acid tert-butyl ester,1-piperazinecarboxylic acid, 4-2-hydroxyethyl-, 1,1-dimethylethyl ester,1-tert-butoxycarbonyl-4-2-hydroxyethyl piperazine,tert-butyl 4-2-hydroxyethyl-1-piperazinecarboxylate,4-2-hydroxyethyl piperazine-1-carboxylic acid tert-butyl ester |
| IUPAC Name | tert-butyl 4-(2-hydroxyethyl)piperazine-1-carboxylate |
| InChI Key | VRXIOAYUQIITBU-UHFFFAOYSA-N |
| Molecular Formula | C11H22N2O3 |
Adenine, Synthetic, Spectrum™ Chemical
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CAS: 73-24-5
| CAS | 73-24-5 |
|---|
1-Methyladenine, 95%, Thermo Scientific Chemicals
CAS: 5142-22-3 Molecular Formula: C6H7N5 Molecular Weight (g/mol): 149.16 MDL Number: MFCD00010532 InChI Key: HPZMWTNATZPBIH-UHFFFAOYSA-N Synonym: 1-methyladenine,1-methyl-1h-purin-6-amine,1h-purin-6-amine, 1-methyl,adenine, 1-methyl,n1-methyladenine,1-methyl-1h-purin-6-ylamine,6h-purin-6-imine, 1,9-dihydro-1-methyl,1-methyl-adenine,1-methyl-9h-purin-6-imine,1-methylhydropurine-6-ylamine PubChem CID: 78821 ChEBI: CHEBI:18083 IUPAC Name: 1-methylpurin-6-amine SMILES: CN1C=NC2=NC=NC2=C1N
| PubChem CID | 78821 |
|---|---|
| CAS | 5142-22-3 |
| Molecular Weight (g/mol) | 149.16 |
| ChEBI | CHEBI:18083 |
| MDL Number | MFCD00010532 |
| SMILES | CN1C=NC2=NC=NC2=C1N |
| Synonym | 1-methyladenine,1-methyl-1h-purin-6-amine,1h-purin-6-amine, 1-methyl,adenine, 1-methyl,n1-methyladenine,1-methyl-1h-purin-6-ylamine,6h-purin-6-imine, 1,9-dihydro-1-methyl,1-methyl-adenine,1-methyl-9h-purin-6-imine,1-methylhydropurine-6-ylamine |
| IUPAC Name | 1-methylpurin-6-amine |
| InChI Key | HPZMWTNATZPBIH-UHFFFAOYSA-N |
| Molecular Formula | C6H7N5 |
8-Bromoadenine
CAS: 6974-78-3 Molecular Formula: C5H4BrN5 Molecular Weight (g/mol): 214.03 MDL Number: MFCD00082518 InChI Key: FVXHPCVBOXMRJP-UHFFFAOYSA-N Synonym: 8-bromoadenine,8-bromo-9h-purin-6-amine,6-amino-8-bromopurine,8-br-adenine,8-bromo-1h-adenine,8-bromo-1h-purin-6-amine,8-bromo-9h-purin-6-ylamine,8-bromopurine-6-ylamine,chembl65747,9h-purin-6-amine, 8-bromo PubChem CID: 81457 IUPAC Name: 8-bromo-7H-purin-6-amine SMILES: NC1=C2NC(Br)=NC2=NC=N1
| PubChem CID | 81457 |
|---|---|
| CAS | 6974-78-3 |
| Molecular Weight (g/mol) | 214.03 |
| MDL Number | MFCD00082518 |
| SMILES | NC1=C2NC(Br)=NC2=NC=N1 |
| Synonym | 8-bromoadenine,8-bromo-9h-purin-6-amine,6-amino-8-bromopurine,8-br-adenine,8-bromo-1h-adenine,8-bromo-1h-purin-6-amine,8-bromo-9h-purin-6-ylamine,8-bromopurine-6-ylamine,chembl65747,9h-purin-6-amine, 8-bromo |
| IUPAC Name | 8-bromo-7H-purin-6-amine |
| InChI Key | FVXHPCVBOXMRJP-UHFFFAOYSA-N |
| Molecular Formula | C5H4BrN5 |
1,2-Dimethylimidazole, 98%
CAS: 1739-84-0 Molecular Formula: C5H8N2 Molecular Weight (g/mol): 96.13 MDL Number: MFCD00005294 InChI Key: GIWQSPITLQVMSG-UHFFFAOYSA-N Synonym: 1,2-dimethyl-1h-imidazole,1h-imidazole, 1,2-dimethyl,imidazole, 1,2-dimethyl,1h-imidazole, dimethyl,unii-q41bc3grjb,q41bc3grjb,lupragen r dmi,1,2-dimethylimdazole,1,2 dimethylimidazole,n,2-dimethylimidazole PubChem CID: 15617 IUPAC Name: 1,2-dimethylimidazole SMILES: CN1C=CN=C1C
| PubChem CID | 15617 |
|---|---|
| CAS | 1739-84-0 |
| Molecular Weight (g/mol) | 96.13 |
| MDL Number | MFCD00005294 |
| SMILES | CN1C=CN=C1C |
| Synonym | 1,2-dimethyl-1h-imidazole,1h-imidazole, 1,2-dimethyl,imidazole, 1,2-dimethyl,1h-imidazole, dimethyl,unii-q41bc3grjb,q41bc3grjb,lupragen r dmi,1,2-dimethylimdazole,1,2 dimethylimidazole,n,2-dimethylimidazole |
| IUPAC Name | 1,2-dimethylimidazole |
| InChI Key | GIWQSPITLQVMSG-UHFFFAOYSA-N |
| Molecular Formula | C5H8N2 |
Adenine hydrochloride, 99.20%, MP Biomedicals™
CAS: 6055-72-7 Molecular Formula: C5H8ClN5O Molecular Weight (g/mol): 189.60 MDL Number: MFCD11046306 InChI Key: MYRDTAUFFBYTHA-UHFFFAOYSA-N Synonym: 7h-purin-6-amine hydrochloride hydrate,adenine hydrochloride hydrate,adenine hydrochloride hemihydrate,1h-purin-6-amine monohydrochloride hydrate 2:1,ade hydrate hydrochloride,purine-6-ylamine, chloride, hydrate,c5h5n5.hcl.h2o,adenine hydrochloride,adeninehydrochloridehemihydrate,vitamin b4 hydrate hydrochloride PubChem CID: 24211900 IUPAC Name: 7H-purin-6-amine hydrate hydrochloride SMILES: O.Cl.NC1=C2NC=NC2=NC=N1
| PubChem CID | 24211900 |
|---|---|
| CAS | 6055-72-7 |
| Molecular Weight (g/mol) | 189.60 |
| MDL Number | MFCD11046306 |
| SMILES | O.Cl.NC1=C2NC=NC2=NC=N1 |
| Synonym | 7h-purin-6-amine hydrochloride hydrate,adenine hydrochloride hydrate,adenine hydrochloride hemihydrate,1h-purin-6-amine monohydrochloride hydrate 2:1,ade hydrate hydrochloride,purine-6-ylamine, chloride, hydrate,c5h5n5.hcl.h2o,adenine hydrochloride,adeninehydrochloridehemihydrate,vitamin b4 hydrate hydrochloride |
| IUPAC Name | 7H-purin-6-amine hydrate hydrochloride |
| InChI Key | MYRDTAUFFBYTHA-UHFFFAOYSA-N |
| Molecular Formula | C5H8ClN5O |
cis-1,2-Cyclohexanedicarboxylic anhydride, 99%
CAS: 13149-00-3 Molecular Formula: C8H10O3 Molecular Weight (g/mol): 154.17 MDL Number: MFCD00005926 InChI Key: MUTGBJKUEZFXGO-OLQVQODUSA-N Synonym: cis-hexahydroisobenzofuran-1,3-dione,cis-1,2-cyclohexanedicarboxylic anhydride,cis-hexahydrophthalic anhydride,unii-b52z7tnv87,cis-cyclohexane-1,2-dicarboxylic anhydride,hexahydrophthalic anhydride, cis,3ar,7as-hexahydro-2-benzofuran-1,3-dione,1,3-isobenzofurandione, hexahydro-, 3ar,7as-rel,3ar,7as-hexahydroisobenzofuran-1,3-dione,1,3-isobenzofurandione, hexahydro-, cis PubChem CID: 641660 IUPAC Name: (3aS,7aR)-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione SMILES: C1CCC2C(C1)C(=O)OC2=O
| PubChem CID | 641660 |
|---|---|
| CAS | 13149-00-3 |
| Molecular Weight (g/mol) | 154.17 |
| MDL Number | MFCD00005926 |
| SMILES | C1CCC2C(C1)C(=O)OC2=O |
| Synonym | cis-hexahydroisobenzofuran-1,3-dione,cis-1,2-cyclohexanedicarboxylic anhydride,cis-hexahydrophthalic anhydride,unii-b52z7tnv87,cis-cyclohexane-1,2-dicarboxylic anhydride,hexahydrophthalic anhydride, cis,3ar,7as-hexahydro-2-benzofuran-1,3-dione,1,3-isobenzofurandione, hexahydro-, 3ar,7as-rel,3ar,7as-hexahydroisobenzofuran-1,3-dione,1,3-isobenzofurandione, hexahydro-, cis |
| IUPAC Name | (3aS,7aR)-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione |
| InChI Key | MUTGBJKUEZFXGO-OLQVQODUSA-N |
| Molecular Formula | C8H10O3 |
4',5'-Dibromofluorescein, Thermo Scientific™
CAS: 596-03-2 Molecular Formula: C20H10Br2O5 Molecular Weight (g/mol): 490.11 InChI Key: ZDTNHRWWURISAA-UHFFFAOYSA-N Synonym: 4',5'-dibromofluorescein,solvent red 72,eosinic acid,japan orange 201,FD&C orange no. 5,c.i. solvent red 72,4',5'-dibromofluororescein,4,5-dibromofluorescein,d & c orange no. 5,japan orange no. 201 PubChem CID: 11689 IUPAC Name: 4',5'-dibromo-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one SMILES: C1=CC=C2C(=C1)C(=O)OC23C4=C(C(=C(C=C4)O)Br)OC5=C3C=CC(=C5Br)O
| PubChem CID | 11689 |
|---|---|
| CAS | 596-03-2 |
| Molecular Weight (g/mol) | 490.11 |
| SMILES | C1=CC=C2C(=C1)C(=O)OC23C4=C(C(=C(C=C4)O)Br)OC5=C3C=CC(=C5Br)O |
| Synonym | 4',5'-dibromofluorescein,solvent red 72,eosinic acid,japan orange 201,FD&C orange no. 5,c.i. solvent red 72,4',5'-dibromofluororescein,4,5-dibromofluorescein,d & c orange no. 5,japan orange no. 201 |
| IUPAC Name | 4',5'-dibromo-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one |
| InChI Key | ZDTNHRWWURISAA-UHFFFAOYSA-N |
| Molecular Formula | C20H10Br2O5 |
2-Aminopyridine-4-methanol, 97%
CAS: 105250-17-7 Molecular Formula: C6H9N2O Molecular Weight (g/mol): 125.15 MDL Number: MFCD03791261 InChI Key: ZRJJXXDQIQFZBW-UHFFFAOYSA-O Synonym: 2-aminopyridin-4-yl methanol,2-amino-pyridin-4-yl-methanol,2-aminopyridine-4-methanol,2-amino-4-pyridinylmethanol,4-pyridinemethanol, 2-amino,2-aminopyridin-4-yl-methanol,2-amino-4-pyridinemethanol,2-amino-4-pyridinyl methanol,2-amino-4-hydroxymethylpyridine,2-amino-4-pyridyl methan-1-ol PubChem CID: 1515296 IUPAC Name: (2-aminopyridin-4-yl)methanol SMILES: NC1=CC(CO)=CC=[NH+]1
| PubChem CID | 1515296 |
|---|---|
| CAS | 105250-17-7 |
| Molecular Weight (g/mol) | 125.15 |
| MDL Number | MFCD03791261 |
| SMILES | NC1=CC(CO)=CC=[NH+]1 |
| Synonym | 2-aminopyridin-4-yl methanol,2-amino-pyridin-4-yl-methanol,2-aminopyridine-4-methanol,2-amino-4-pyridinylmethanol,4-pyridinemethanol, 2-amino,2-aminopyridin-4-yl-methanol,2-amino-4-pyridinemethanol,2-amino-4-pyridinyl methanol,2-amino-4-hydroxymethylpyridine,2-amino-4-pyridyl methan-1-ol |
| IUPAC Name | (2-aminopyridin-4-yl)methanol |
| InChI Key | ZRJJXXDQIQFZBW-UHFFFAOYSA-O |
| Molecular Formula | C6H9N2O |