Organoheterocyclic compounds
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1,2-Benzisoxazole, 95%
CAS: 271-95-4 Molecular Formula: C7H5NO Molecular Weight (g/mol): 119.123 MDL Number: MFCD00005852 InChI Key: KTZQTRPPVKQPFO-UHFFFAOYSA-N Synonym: 1,2-benzisoxazole,benzo d isoxazole,indoxazene,benzisoxazole,benz d isoxazole,4,5-benzisoxazole,1-oxa-2-aza-1h-indene,benzoisoxazole,indoxazine,isoindoxazine PubChem CID: 71073 ChEBI: CHEBI:51554 IUPAC Name: 1,2-benzoxazole SMILES: C1=CC=C2C(=C1)C=NO2
| PubChem CID | 71073 |
|---|---|
| CAS | 271-95-4 |
| Molecular Weight (g/mol) | 119.123 |
| ChEBI | CHEBI:51554 |
| MDL Number | MFCD00005852 |
| SMILES | C1=CC=C2C(=C1)C=NO2 |
| Synonym | 1,2-benzisoxazole,benzo d isoxazole,indoxazene,benzisoxazole,benz d isoxazole,4,5-benzisoxazole,1-oxa-2-aza-1h-indene,benzoisoxazole,indoxazine,isoindoxazine |
| IUPAC Name | 1,2-benzoxazole |
| InChI Key | KTZQTRPPVKQPFO-UHFFFAOYSA-N |
| Molecular Formula | C7H5NO |
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 |
N-Hydroxysulfosuccinimide sodium salt, 97%
CAS: 106627-54-7 Molecular Formula: C4H4NNaO6S Molecular Weight (g/mol): 217.127 MDL Number: MFCD00043100 InChI Key: RPENMORRBUTCPR-UHFFFAOYSA-M Synonym: n-hydroxysulfosuccinimide sodium salt,sulfo-nhs,sodium 1-hydroxy-2,5-dioxopyrrolidine-3-sulfonate,n-hydroxysulfosuccinimidesodiumsalt,3-pyrrolidinesulfonic acid, 1-hydroxy-2,5-dioxo-, monosodium salt,sodium 1-hydroxy-2,5-dioxo-pyrrolidine-3-sulfonate,n-hydroxusulfosuccinimide sodium,n-hydroxy-2-sodiosulfo succinimide,n-hydroxysulfosuccinimide,sodium salt,n-hydroxusulfosuccinimide sodium salt PubChem CID: 3520574 IUPAC Name: sodium;1-hydroxy-2,5-dioxopyrrolidine-3-sulfonate SMILES: C1C(C(=O)N(C1=O)O)S(=O)(=O)[O-].[Na+]
| PubChem CID | 3520574 |
|---|---|
| CAS | 106627-54-7 |
| Molecular Weight (g/mol) | 217.127 |
| MDL Number | MFCD00043100 |
| SMILES | C1C(C(=O)N(C1=O)O)S(=O)(=O)[O-].[Na+] |
| Synonym | n-hydroxysulfosuccinimide sodium salt,sulfo-nhs,sodium 1-hydroxy-2,5-dioxopyrrolidine-3-sulfonate,n-hydroxysulfosuccinimidesodiumsalt,3-pyrrolidinesulfonic acid, 1-hydroxy-2,5-dioxo-, monosodium salt,sodium 1-hydroxy-2,5-dioxo-pyrrolidine-3-sulfonate,n-hydroxusulfosuccinimide sodium,n-hydroxy-2-sodiosulfo succinimide,n-hydroxysulfosuccinimide,sodium salt,n-hydroxusulfosuccinimide sodium salt |
| IUPAC Name | sodium;1-hydroxy-2,5-dioxopyrrolidine-3-sulfonate |
| InChI Key | RPENMORRBUTCPR-UHFFFAOYSA-M |
| Molecular Formula | C4H4NNaO6S |
Thermo Scientific Chemicals 2,3:4,5-Di-O-isopropylidene-beta-D-fructopyranose, 98%
CAS: 20880-92-6 Molecular Formula: C12H20O6 Molecular Weight (g/mol): 260.286 MDL Number: MFCD00022183 InChI Key: PSSHGMIAIUYOJF-OZFQHSNDSA-N Synonym: 2,3:4,5-bis-o-1,2 methylethylidene-beta-d-fruetopyranose PubChem CID: 45357248 IUPAC Name: [(3aR,5aS,8aS)-2,2,7,7-tetramethyl-5,5a,8a,8b-tetrahydrodi[1,3]dioxolo[4,5-a SMILES: CC1(OC2COC3(C(C2O1)OC(O3)(C)C)CO)C
| PubChem CID | 45357248 |
|---|---|
| CAS | 20880-92-6 |
| Molecular Weight (g/mol) | 260.286 |
| MDL Number | MFCD00022183 |
| SMILES | CC1(OC2COC3(C(C2O1)OC(O3)(C)C)CO)C |
| Synonym | 2,3:4,5-bis-o-1,2 methylethylidene-beta-d-fruetopyranose |
| IUPAC Name | [(3aR,5aS,8aS)-2,2,7,7-tetramethyl-5,5a,8a,8b-tetrahydrodi[1,3]dioxolo[4,5-a |
| InChI Key | PSSHGMIAIUYOJF-OZFQHSNDSA-N |
| Molecular Formula | C12H20O6 |
Ganciclovir, 98%, Thermo Scientific Chemicals
CAS: 82410-32-0 Molecular Formula: C9H13N5O4 Molecular Weight (g/mol): 255.23 InChI Key: IRSCQMHQWWYFCW-UHFFFAOYSA-N Synonym: ganciclovir,gancyclovir,cytovene,vitrasert,hydroxyacyclovir,ganciclovirum,zirgan,ganciclovir sodium,cymevene,hhemg PubChem CID: 3454 ChEBI: CHEBI:465284 IUPAC Name: 2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)-3H-purin-6-one SMILES: C1=NC2=C(N1COC(CO)CO)NC(=NC2=O)N
| PubChem CID | 3454 |
|---|---|
| CAS | 82410-32-0 |
| Molecular Weight (g/mol) | 255.23 |
| ChEBI | CHEBI:465284 |
| SMILES | C1=NC2=C(N1COC(CO)CO)NC(=NC2=O)N |
| Synonym | ganciclovir,gancyclovir,cytovene,vitrasert,hydroxyacyclovir,ganciclovirum,zirgan,ganciclovir sodium,cymevene,hhemg |
| IUPAC Name | 2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)-3H-purin-6-one |
| InChI Key | IRSCQMHQWWYFCW-UHFFFAOYSA-N |
| Molecular Formula | C9H13N5O4 |
1-n-Butyl-3-methylimidazolium tetrafluoroborate, 98+%
CAS: 174501-65-6 Molecular Formula: C8H15BF4N2 Molecular Weight (g/mol): 226.03 MDL Number: MFCD03095449 InChI Key: LSBXQLQATZTAPE-UHFFFAOYSA-N Synonym: 1-butyl-3-methylimidazolium tetrafluoroborate,1-n-butyl-3-methylimidazolium tetrafluoroborate,3-butyl-1-methyl-1h-imidazol-3-ium tetrafluoroborate,unii-t2tvz2306t,bmimbf4,butylmethylimidazolium tetrafluoroborate,1-butyl-3-methylimidazolium terafluoroborate,1-methyl-3-butylimidazolium tetrafluoroborate,c4mim tetrafluoroborate,1-butyl-3-methyl-1h-imidazol-3-ium tetrafluoroborate PubChem CID: 2734178 SMILES: F[B-](F)(F)F.CCCCN1C=C[N+](C)=C1
| PubChem CID | 2734178 |
|---|---|
| CAS | 174501-65-6 |
| Molecular Weight (g/mol) | 226.03 |
| MDL Number | MFCD03095449 |
| SMILES | F[B-](F)(F)F.CCCCN1C=C[N+](C)=C1 |
| Synonym | 1-butyl-3-methylimidazolium tetrafluoroborate,1-n-butyl-3-methylimidazolium tetrafluoroborate,3-butyl-1-methyl-1h-imidazol-3-ium tetrafluoroborate,unii-t2tvz2306t,bmimbf4,butylmethylimidazolium tetrafluoroborate,1-butyl-3-methylimidazolium terafluoroborate,1-methyl-3-butylimidazolium tetrafluoroborate,c4mim tetrafluoroborate,1-butyl-3-methyl-1h-imidazol-3-ium tetrafluoroborate |
| InChI Key | LSBXQLQATZTAPE-UHFFFAOYSA-N |
| Molecular Formula | C8H15BF4N2 |
2-Succinimido-1,1,3,3-tetramethyluronium tetrafluoroborate, 98%
CAS: 105832-38-0 Molecular Formula: C9H16BF4N3O3 Molecular Weight (g/mol): 301.05 MDL Number: MFCD00077875 InChI Key: YEBLHMRPZHNTEK-UHFFFAOYSA-N Synonym: tstu,o-n-succinimidyl-1,1,3,3-tetramethyluronium tetrafluoroborate,2-2,5-dioxopyrrolidin-1-yl-1,1,3,3-tetramethylisouronium tetrafluoroborate,2-succinimido-1,1,3,3-tetramethyluronium tetrafluoroborate,n,n,n',n'-tetramethyl-o-n-succinimidyl uronium tetrafluoroborate,o-n-succinimidyl-n,n,n',n'-tetramethyluronium tetrafluoroborate,o-n-succinimidyl-n,n,n',n'-tetramethyl-uronium tetrafluoroborate,dimethylamino 2,5-dioxopyrrolidin-1-yl oxy methylidene dimethylazanium tetrafluoroborate,o-n-succinimidyl-n,n,n',n'-tetramethyl uronium bf4,pubchem12781 PubChem CID: 9857522 IUPAC Name: [dimethylamino-(2,5-dioxopyrrolidin-1-yl)oxymethylidene]-dimethylazanium;tetrafluoroborate SMILES: F[B-](F)(F)F.CN(C)C(ON1C(=O)CCC1=O)=[N+](C)C
| PubChem CID | 9857522 |
|---|---|
| CAS | 105832-38-0 |
| Molecular Weight (g/mol) | 301.05 |
| MDL Number | MFCD00077875 |
| SMILES | F[B-](F)(F)F.CN(C)C(ON1C(=O)CCC1=O)=[N+](C)C |
| Synonym | tstu,o-n-succinimidyl-1,1,3,3-tetramethyluronium tetrafluoroborate,2-2,5-dioxopyrrolidin-1-yl-1,1,3,3-tetramethylisouronium tetrafluoroborate,2-succinimido-1,1,3,3-tetramethyluronium tetrafluoroborate,n,n,n',n'-tetramethyl-o-n-succinimidyl uronium tetrafluoroborate,o-n-succinimidyl-n,n,n',n'-tetramethyluronium tetrafluoroborate,o-n-succinimidyl-n,n,n',n'-tetramethyl-uronium tetrafluoroborate,dimethylamino 2,5-dioxopyrrolidin-1-yl oxy methylidene dimethylazanium tetrafluoroborate,o-n-succinimidyl-n,n,n',n'-tetramethyl uronium bf4,pubchem12781 |
| IUPAC Name | [dimethylamino-(2,5-dioxopyrrolidin-1-yl)oxymethylidene]-dimethylazanium;tetrafluoroborate |
| InChI Key | YEBLHMRPZHNTEK-UHFFFAOYSA-N |
| Molecular Formula | C9H16BF4N3O3 |
Azepan-2-one oxime, 97%, Thermo Scientific™
CAS: 19214-08-5 Molecular Formula: C6H12N2O Molecular Weight (g/mol): 128.18 MDL Number: MFCD00053062 InChI Key: PPOHPUOKXMNCCI-UHFFFAOYSA-N Synonym: azepan-2-one oxime,n-azepan-2-ylidene hydroxylamine,2z-azepan-2-one oxime,2h-azepin-7-amine,3,4,5,6-tetrahydro-n-hydroxy,n-2e-azepan-2-ylidene hydroxylamine,2-hydroxyimino azaperhydroepine,n-2z-azepan-2-ylidene hydroxylamine,caprolactam-oxime,hieh@hpdeewafjjadp,azepan-2-oneoxime PubChem CID: 1810625 IUPAC Name: N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydroxylamine SMILES: O\N=C1/CCCCCN1
| PubChem CID | 1810625 |
|---|---|
| CAS | 19214-08-5 |
| Molecular Weight (g/mol) | 128.18 |
| MDL Number | MFCD00053062 |
| SMILES | O\N=C1/CCCCCN1 |
| Synonym | azepan-2-one oxime,n-azepan-2-ylidene hydroxylamine,2z-azepan-2-one oxime,2h-azepin-7-amine,3,4,5,6-tetrahydro-n-hydroxy,n-2e-azepan-2-ylidene hydroxylamine,2-hydroxyimino azaperhydroepine,n-2z-azepan-2-ylidene hydroxylamine,caprolactam-oxime,hieh@hpdeewafjjadp,azepan-2-oneoxime |
| IUPAC Name | N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydroxylamine |
| InChI Key | PPOHPUOKXMNCCI-UHFFFAOYSA-N |
| Molecular Formula | C6H12N2O |
Clomipramine Impurity F, British Pharmacopoeia (BP) Reference Standard, MilliporeSigma™ Supelco™
This product is provided as delivered and specified by the issuing Pharmacopoeia. All information provided in support of this product, including SDS and any product information leaflets, has been developed and issued under the Authority of the issuing Pharmacopoeia.
10,11-Dihydrocarbamazepine, 99%
CAS: 3564-73-6 Molecular Formula: C15H14N2O Molecular Weight (g/mol): 238.29 MDL Number: MFCD00005072 InChI Key: PHNLCHMJDSSPDQ-UHFFFAOYSA-N Synonym: 10,11-dihydrocarbamazepine,10,11-dihydro-5h-dibenzo b,f azepine-5-carboxamide,unii-ec017va9fr,dihydrocarbamazepine,ec017va9fr,5h-dibenz b,f azepine-5-carboxamide, 10,11-dihydro,chembl41543,5,6-dihydrobenzo b 1 benzazepine-11-carboxamide,10,11-dihydro-5h-dibenz b,f azepine-5-carboxamide PubChem CID: 19099 IUPAC Name: 2-azatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide SMILES: NC(=O)N1C2=CC=CC=C2CCC2=CC=CC=C12
| PubChem CID | 19099 |
|---|---|
| CAS | 3564-73-6 |
| Molecular Weight (g/mol) | 238.29 |
| MDL Number | MFCD00005072 |
| SMILES | NC(=O)N1C2=CC=CC=C2CCC2=CC=CC=C12 |
| Synonym | 10,11-dihydrocarbamazepine,10,11-dihydro-5h-dibenzo b,f azepine-5-carboxamide,unii-ec017va9fr,dihydrocarbamazepine,ec017va9fr,5h-dibenz b,f azepine-5-carboxamide, 10,11-dihydro,chembl41543,5,6-dihydrobenzo b 1 benzazepine-11-carboxamide,10,11-dihydro-5h-dibenz b,f azepine-5-carboxamide |
| IUPAC Name | 2-azatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxamide |
| InChI Key | PHNLCHMJDSSPDQ-UHFFFAOYSA-N |
| Molecular Formula | C15H14N2O |
Iminostilbene, 97%
CAS: 256-96-2 Molecular Formula: C14H11N Molecular Weight (g/mol): 193.25 MDL Number: MFCD00005071 InChI Key: LCGTWRLJTMHIQZ-UHFFFAOYSA-N Synonym: iminostilbene,5h-dibenzo b,f azepine,5h-dibenz b,f azepine,2,2'-iminostilbene,dibenz b,f azepine,2,3,6,7-dibenzazepine,stilbene, 2,2'-imino PubChem CID: 9212 ChEBI: CHEBI:47802 IUPAC Name: 11H-benzo[b][1]benzazepine SMILES: C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2
| PubChem CID | 9212 |
|---|---|
| CAS | 256-96-2 |
| Molecular Weight (g/mol) | 193.25 |
| ChEBI | CHEBI:47802 |
| MDL Number | MFCD00005071 |
| SMILES | C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2 |
| Synonym | iminostilbene,5h-dibenzo b,f azepine,5h-dibenz b,f azepine,2,2'-iminostilbene,dibenz b,f azepine,2,3,6,7-dibenzazepine,stilbene, 2,2'-imino |
| IUPAC Name | 11H-benzo[b][1]benzazepine |
| InChI Key | LCGTWRLJTMHIQZ-UHFFFAOYSA-N |
| Molecular Formula | C14H11N |
1,5-Pentamethylene-1H-tetrazole, 98%
CAS: 54-95-5 Molecular Formula: C6H10N4 Molecular Weight (g/mol): 138.174 MDL Number: MFCD00005939 InChI Key: CWRVKFFCRWGWCS-UHFFFAOYSA-N Synonym: pentylenetetrazol,pentylenetetrazole,pentetrazol,metrazole,cardiazol,cardiazole,cardiol,corazol,1,5-pentamethylenetetrazole,corazole PubChem CID: 5917 ChEBI: CHEBI:34910 IUPAC Name: 6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine SMILES: C1CCC2=NN=NN2CC1
| PubChem CID | 5917 |
|---|---|
| CAS | 54-95-5 |
| Molecular Weight (g/mol) | 138.174 |
| ChEBI | CHEBI:34910 |
| MDL Number | MFCD00005939 |
| SMILES | C1CCC2=NN=NN2CC1 |
| Synonym | pentylenetetrazol,pentylenetetrazole,pentetrazol,metrazole,cardiazol,cardiazole,cardiol,corazol,1,5-pentamethylenetetrazole,corazole |
| IUPAC Name | 6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine |
| InChI Key | CWRVKFFCRWGWCS-UHFFFAOYSA-N |
| Molecular Formula | C6H10N4 |
Butadiene sulfone, 98%
CAS: 77-79-2 Molecular Formula: C4H6O2S Molecular Weight (g/mol): 118.16 MDL Number: MFCD00005481 InChI Key: MBDNRNMVTZADMQ-UHFFFAOYSA-N Synonym: 3-sulfolene,butadiene sulfone,sulfolene,thiophene, 2,5-dihydro-, 1,1-dioxide,beta-sulfolene,2,5-dihydrothiophene sulfone,2,5-dihydrothiophene dioxide,2,5-dihydrothiophene-1,1-dioxide,sulfol-3-ene,ccris 569 PubChem CID: 6498 IUPAC Name: 2,5-dihydrothiophene 1,1-dioxide SMILES: C1C=CCS1(=O)=O
| PubChem CID | 6498 |
|---|---|
| CAS | 77-79-2 |
| Molecular Weight (g/mol) | 118.16 |
| MDL Number | MFCD00005481 |
| SMILES | C1C=CCS1(=O)=O |
| Synonym | 3-sulfolene,butadiene sulfone,sulfolene,thiophene, 2,5-dihydro-, 1,1-dioxide,beta-sulfolene,2,5-dihydrothiophene sulfone,2,5-dihydrothiophene dioxide,2,5-dihydrothiophene-1,1-dioxide,sulfol-3-ene,ccris 569 |
| IUPAC Name | 2,5-dihydrothiophene 1,1-dioxide |
| InChI Key | MBDNRNMVTZADMQ-UHFFFAOYSA-N |
| Molecular Formula | C4H6O2S |
Pyridine, 99.8%, for biochemistry, AcroSeal™, Thermo Scientific Chemicals
CAS: 110-86-1 Molecular Formula: C5H5N Molecular Weight (g/mol): 79.1 InChI Key: JUJWROOIHBZHMG-UHFFFAOYSA-N Synonym: azabenzene,azine,pyridin,piridina,pirydyna,pyridin german,pirydyna polish,piridina italian,rcra waste number u196,caswell no. 717 PubChem CID: 1049 ChEBI: CHEBI:16227 IUPAC Name: pyridine SMILES: C1=CC=NC=C1
| PubChem CID | 1049 |
|---|---|
| CAS | 110-86-1 |
| Molecular Weight (g/mol) | 79.1 |
| ChEBI | CHEBI:16227 |
| SMILES | C1=CC=NC=C1 |
| Synonym | azabenzene,azine,pyridin,piridina,pirydyna,pyridin german,pirydyna polish,piridina italian,rcra waste number u196,caswell no. 717 |
| IUPAC Name | pyridine |
| InChI Key | JUJWROOIHBZHMG-UHFFFAOYSA-N |
| Molecular Formula | C5H5N |
4-(2-Methyl-1H-imidazol-1-yl)benzonitrile, 97%, Thermo Scientific™
CAS: 122957-50-0 Molecular Formula: C11H9N3 Molecular Weight (g/mol): 183.21 MDL Number: MFCD08559033 InChI Key: FAMJRKMLLLJOGZ-UHFFFAOYSA-N PubChem CID: 15005384 IUPAC Name: 4-(2-methyl-1H-imidazol-1-yl)benzonitrile SMILES: CC1=NC=CN1C1=CC=C(C=C1)C#N
| PubChem CID | 15005384 |
|---|---|
| CAS | 122957-50-0 |
| Molecular Weight (g/mol) | 183.21 |
| MDL Number | MFCD08559033 |
| SMILES | CC1=NC=CN1C1=CC=C(C=C1)C#N |
| IUPAC Name | 4-(2-methyl-1H-imidazol-1-yl)benzonitrile |
| InChI Key | FAMJRKMLLLJOGZ-UHFFFAOYSA-N |
| Molecular Formula | C11H9N3 |