Organoheterocyclic compounds
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Tazobactam sodium
CAS: 89785-84-2 Molecular Formula: C10H12N4NaO5S Molecular Weight (g/mol): 323.279 MDL Number: MFCD00917472 InChI Key: ZUNWFYFXHGWFRA-QVUDESDKSA-N Synonym: tazobactam sodium salt PubChem CID: 66636300 IUPAC Name: (2S,3S,5R)-3-methyl-4,4,7-trioxo-3-(triazol-1-ylmethyl)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;sodium SMILES: CC1(C(N2C(S1(=O)=O)CC2=O)C(=O)O)CN3C=CN=N3.[Na]
| PubChem CID | 66636300 |
|---|---|
| CAS | 89785-84-2 |
| Molecular Weight (g/mol) | 323.279 |
| MDL Number | MFCD00917472 |
| SMILES | CC1(C(N2C(S1(=O)=O)CC2=O)C(=O)O)CN3C=CN=N3.[Na] |
| Synonym | tazobactam sodium salt |
| IUPAC Name | (2S,3S,5R)-3-methyl-4,4,7-trioxo-3-(triazol-1-ylmethyl)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;sodium |
| InChI Key | ZUNWFYFXHGWFRA-QVUDESDKSA-N |
| Molecular Formula | C10H12N4NaO5S |
(+/-)-Styrene oxide, 98+%
CAS: 96-09-3 Molecular Formula: C8H8O Molecular Weight (g/mol): 120.151 MDL Number: MFCD00005121 InChI Key: AWMVMTVKBNGEAK-UHFFFAOYSA-N Synonym: styrene oxide,phenyloxirane,1,2-epoxyethylbenzene,phenylethylene oxide,epoxystyrene,styrene epoxide,styryl oxide,oxirane, phenyl,1-phenyloxirane,phenethylene oxide PubChem CID: 7276 ChEBI: CHEBI:17907 IUPAC Name: 2-phenyloxirane SMILES: C1C(O1)C2=CC=CC=C2
| PubChem CID | 7276 |
|---|---|
| CAS | 96-09-3 |
| Molecular Weight (g/mol) | 120.151 |
| ChEBI | CHEBI:17907 |
| MDL Number | MFCD00005121 |
| SMILES | C1C(O1)C2=CC=CC=C2 |
| Synonym | styrene oxide,phenyloxirane,1,2-epoxyethylbenzene,phenylethylene oxide,epoxystyrene,styrene epoxide,styryl oxide,oxirane, phenyl,1-phenyloxirane,phenethylene oxide |
| IUPAC Name | 2-phenyloxirane |
| InChI Key | AWMVMTVKBNGEAK-UHFFFAOYSA-N |
| Molecular Formula | C8H8O |
1H-Benzotriazole, 99%
CAS: 95-14-7 Molecular Formula: C6H5N3 Molecular Weight (g/mol): 119.127 MDL Number: MFCD00005699 InChI Key: QRUDEWIWKLJBPS-UHFFFAOYSA-N Synonym: 1h-benzotriazole,benzotriazole,1,2,3-benzotriazole,1h-benzo d 1,2,3 triazole,azimidobenzene,1h-1,2,3-benzotriazole,aziminobenzene,benztriazole,benzene azimide,benzisotriazole PubChem CID: 7220 ChEBI: CHEBI:75331 IUPAC Name: 2H-benzotriazole SMILES: C1=CC2=NNN=C2C=C1
| PubChem CID | 7220 |
|---|---|
| CAS | 95-14-7 |
| Molecular Weight (g/mol) | 119.127 |
| ChEBI | CHEBI:75331 |
| MDL Number | MFCD00005699 |
| SMILES | C1=CC2=NNN=C2C=C1 |
| Synonym | 1h-benzotriazole,benzotriazole,1,2,3-benzotriazole,1h-benzo d 1,2,3 triazole,azimidobenzene,1h-1,2,3-benzotriazole,aziminobenzene,benztriazole,benzene azimide,benzisotriazole |
| IUPAC Name | 2H-benzotriazole |
| InChI Key | QRUDEWIWKLJBPS-UHFFFAOYSA-N |
| Molecular Formula | C6H5N3 |
Quinoline, 96%
CAS: 91-22-5 Molecular Formula: C9H7N Molecular Weight (g/mol): 129.16 MDL Number: MFCD00006736,MFCD06637409,MFCD31699982,MFCD31699983,MFCD31699984,MFCD31699985,MFCD31699986,MFCD31699987 InChI Key: SMWDFEZZVXVKRB-UHFFFAOYSA-N Synonym: chinolin,chinoline,1-benzazine,quinolin,1-azanaphthalene,chinoleine,leucol,benzo b pyridine,benzopyridine,leukol PubChem CID: 7047 ChEBI: CHEBI:17362 IUPAC Name: quinoline SMILES: C1=CC=C2N=CC=CC2=C1
| PubChem CID | 7047 |
|---|---|
| CAS | 91-22-5 |
| Molecular Weight (g/mol) | 129.16 |
| ChEBI | CHEBI:17362 |
| MDL Number | MFCD00006736,MFCD06637409,MFCD31699982,MFCD31699983,MFCD31699984,MFCD31699985,MFCD31699986,MFCD31699987 |
| SMILES | C1=CC=C2N=CC=CC2=C1 |
| Synonym | chinolin,chinoline,1-benzazine,quinolin,1-azanaphthalene,chinoleine,leucol,benzo b pyridine,benzopyridine,leukol |
| IUPAC Name | quinoline |
| InChI Key | SMWDFEZZVXVKRB-UHFFFAOYSA-N |
| Molecular Formula | C9H7N |
1,2-Cyclohexanedicarboxylic anhydride, cis + trans, 97%
CAS: 85-42-7 Molecular Formula: C8H10O3 Molecular Weight (g/mol): 154.17 MDL Number: MFCD00064863,MFCD00674195 InChI Key: MUTGBJKUEZFXGO-UHFFFAOYNA-N Synonym: hexahydrophthalic anhydride,hexahydroisobenzofuran-1,3-dione,hhpa,1,2-cyclohexanedicarboxylic anhydride,lekutherm hardener h,hexahydrophthalic acid anhydride,1,3-isobenzofurandione, hexahydro,araldite ht 907,cyclohexane-1,2-dicarboxylic anhydride,1,2-cyclohexanedicarboxylic acid anhydride PubChem CID: 85689 ChEBI: CHEBI:103210 IUPAC Name: 3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione SMILES: O=C1OC(=O)C2CCCCC12
| PubChem CID | 85689 |
|---|---|
| CAS | 85-42-7 |
| Molecular Weight (g/mol) | 154.17 |
| ChEBI | CHEBI:103210 |
| MDL Number | MFCD00064863,MFCD00674195 |
| SMILES | O=C1OC(=O)C2CCCCC12 |
| Synonym | hexahydrophthalic anhydride,hexahydroisobenzofuran-1,3-dione,hhpa,1,2-cyclohexanedicarboxylic anhydride,lekutherm hardener h,hexahydrophthalic acid anhydride,1,3-isobenzofurandione, hexahydro,araldite ht 907,cyclohexane-1,2-dicarboxylic anhydride,1,2-cyclohexanedicarboxylic acid anhydride |
| IUPAC Name | 3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione |
| InChI Key | MUTGBJKUEZFXGO-UHFFFAOYNA-N |
| Molecular Formula | C8H10O3 |
Disuccinimidyl glutarate, 97%
CAS: 79642-50-5 Molecular Formula: C13H14N2O8 Molecular Weight (g/mol): 326.26 MDL Number: MFCD00153597 InChI Key: LNQHREYHFRFJAU-UHFFFAOYSA-N Synonym: disuccinimidyl glutarate,di n-succinimidyl glutarate,bis 2,5-dioxopyrrolidin-1-yl pentanedioate,pentanedioic acid,1,5-bis 2,5-dioxo-1-pyrrolidinyl ester,dsg crosslinker,glutaric acid disuccinimidyl ester,di n-hydroxysuccinimidyl glutarate,bis 2,5-dioxopyrrolidin-1-yl glutarate,di n-succinimidyl glutarate chn PubChem CID: 4432628 IUPAC Name: bis(2,5-dioxopyrrolidin-1-yl) pentanedioate SMILES: O=C(CCCC(=O)ON1C(=O)CCC1=O)ON1C(=O)CCC1=O
| PubChem CID | 4432628 |
|---|---|
| CAS | 79642-50-5 |
| Molecular Weight (g/mol) | 326.26 |
| MDL Number | MFCD00153597 |
| SMILES | O=C(CCCC(=O)ON1C(=O)CCC1=O)ON1C(=O)CCC1=O |
| Synonym | disuccinimidyl glutarate,di n-succinimidyl glutarate,bis 2,5-dioxopyrrolidin-1-yl pentanedioate,pentanedioic acid,1,5-bis 2,5-dioxo-1-pyrrolidinyl ester,dsg crosslinker,glutaric acid disuccinimidyl ester,di n-hydroxysuccinimidyl glutarate,bis 2,5-dioxopyrrolidin-1-yl glutarate,di n-succinimidyl glutarate chn |
| IUPAC Name | bis(2,5-dioxopyrrolidin-1-yl) pentanedioate |
| InChI Key | LNQHREYHFRFJAU-UHFFFAOYSA-N |
| Molecular Formula | C13H14N2O8 |
Pyrrole, 98+%
CAS: 109-97-7 Molecular Formula: C4H5N Molecular Weight (g/mol): 67.09 MDL Number: MFCD00005216 InChI Key: KAESVJOAVNADME-UHFFFAOYSA-N Synonym: pyrrole,divinylenimine,azole,imidole,pyrrol,monopyrrole,divinyleneimine,1-aza-2,4-cyclopentadiene,polypyrrole,unii-86s1zd6l2c PubChem CID: 8027 ChEBI: CHEBI:19203 IUPAC Name: 1H-pyrrole SMILES: N1C=CC=C1
| PubChem CID | 8027 |
|---|---|
| CAS | 109-97-7 |
| Molecular Weight (g/mol) | 67.09 |
| ChEBI | CHEBI:19203 |
| MDL Number | MFCD00005216 |
| SMILES | N1C=CC=C1 |
| Synonym | pyrrole,divinylenimine,azole,imidole,pyrrol,monopyrrole,divinyleneimine,1-aza-2,4-cyclopentadiene,polypyrrole,unii-86s1zd6l2c |
| IUPAC Name | 1H-pyrrole |
| InChI Key | KAESVJOAVNADME-UHFFFAOYSA-N |
| Molecular Formula | C4H5N |
Thiophene, 99%
CAS: 110-02-1 Molecular Formula: C4H4S Molecular Weight (g/mol): 84.14 MDL Number: MFCD00005413 InChI Key: YTPLMLYBLZKORZ-UHFFFAOYSA-N Synonym: thiofuran,thiole,thiophen,thiotetrole,thiacyclopentadiene,divinylene sulfide,thiaphene,thiofuram,thiofurfuran,furan, thio PubChem CID: 8030 ChEBI: CHEBI:30856 IUPAC Name: thiophene SMILES: S1C=CC=C1
| PubChem CID | 8030 |
|---|---|
| CAS | 110-02-1 |
| Molecular Weight (g/mol) | 84.14 |
| ChEBI | CHEBI:30856 |
| MDL Number | MFCD00005413 |
| SMILES | S1C=CC=C1 |
| Synonym | thiofuran,thiole,thiophen,thiotetrole,thiacyclopentadiene,divinylene sulfide,thiaphene,thiofuram,thiofurfuran,furan, thio |
| IUPAC Name | thiophene |
| InChI Key | YTPLMLYBLZKORZ-UHFFFAOYSA-N |
| Molecular Formula | C4H4S |
Imidazole, >98.5% (Dry Basis), Ultrapure
CAS: 288-32-4 Molecular Formula: C3H4N2 Molecular Weight (g/mol): 68.08 MDL Number: MFCD00005183 InChI Key: RAXXELZNTBOGNW-UHFFFAOYSA-N Synonym: imidazole,glyoxaline,imidazol,iminazole,miazole,1,3-diazole,glyoxalin,imutex,1,3-diaza-2,4-cyclopentadiene,pyrro b monazole PubChem CID: 795 ChEBI: CHEBI:16069 IUPAC Name: 1 H-imidazole SMILES: N1C=CN=C1
| PubChem CID | 795 |
|---|---|
| CAS | 288-32-4 |
| Molecular Weight (g/mol) | 68.08 |
| ChEBI | CHEBI:16069 |
| MDL Number | MFCD00005183 |
| SMILES | N1C=CN=C1 |
| Synonym | imidazole,glyoxaline,imidazol,iminazole,miazole,1,3-diazole,glyoxalin,imutex,1,3-diaza-2,4-cyclopentadiene,pyrro b monazole |
| IUPAC Name | 1 H-imidazole |
| InChI Key | RAXXELZNTBOGNW-UHFFFAOYSA-N |
| Molecular Formula | C3H4N2 |
3-Aminophthalhydrazide, 98%, pure
CAS: 521-31-3 Molecular Formula: C8H7N3O2 Molecular Weight (g/mol): 177.16 MDL Number: MFCD00006890 InChI Key: HWYHZTIRURJOHG-UHFFFAOYSA-N Synonym: luminol,3-aminophthalhydrazide,3-aminophthalic hydrazide,5-amino-2,3-dihydro-1,4-phthalazinedione,1,4-phthalazinedione, 5-amino-2,3-dihydro,3-aminophthalic acid hydrazide,5-amino-1,2,3,4-tetrahydrophthalazine-1,4-dione,unii-5exp385q4f,ccris 5962,3-aminophthalylhydrazide PubChem CID: 10638 IUPAC Name: 5-amino-2,3-dihydrophthalazine-1,4-dione SMILES: C1=CC2=C(C(=C1)N)C(=O)NNC2=O
| PubChem CID | 10638 |
|---|---|
| CAS | 521-31-3 |
| Molecular Weight (g/mol) | 177.16 |
| MDL Number | MFCD00006890 |
| SMILES | C1=CC2=C(C(=C1)N)C(=O)NNC2=O |
| Synonym | luminol,3-aminophthalhydrazide,3-aminophthalic hydrazide,5-amino-2,3-dihydro-1,4-phthalazinedione,1,4-phthalazinedione, 5-amino-2,3-dihydro,3-aminophthalic acid hydrazide,5-amino-1,2,3,4-tetrahydrophthalazine-1,4-dione,unii-5exp385q4f,ccris 5962,3-aminophthalylhydrazide |
| IUPAC Name | 5-amino-2,3-dihydrophthalazine-1,4-dione |
| InChI Key | HWYHZTIRURJOHG-UHFFFAOYSA-N |
| Molecular Formula | C8H7N3O2 |
Butyl Glycidyl Ether 98.0+%, TCI America™
CAS: 2426-08-6 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.19 MDL Number: MFCD00005145 InChI Key: YSUQLAYJZDEMOT-UHFFFAOYNA-N Synonym: butyl glycidyl ether,n-butyl glycidyl ether,2-butoxymethyl oxirane,oxirane, butoxymethyl,1-butoxy-2,3-epoxypropane,glycidyl butyl ether,butoxymethyl oxirane,ether, butyl glycidyl,glycidyl n-butyl ether,butyl 2,3-epoxypropyl ether PubChem CID: 17049 IUPAC Name: 2-(butoxymethyl)oxirane SMILES: CCCCOCC1CO1
| PubChem CID | 17049 |
|---|---|
| CAS | 2426-08-6 |
| Molecular Weight (g/mol) | 130.19 |
| MDL Number | MFCD00005145 |
| SMILES | CCCCOCC1CO1 |
| Synonym | butyl glycidyl ether,n-butyl glycidyl ether,2-butoxymethyl oxirane,oxirane, butoxymethyl,1-butoxy-2,3-epoxypropane,glycidyl butyl ether,butoxymethyl oxirane,ether, butyl glycidyl,glycidyl n-butyl ether,butyl 2,3-epoxypropyl ether |
| IUPAC Name | 2-(butoxymethyl)oxirane |
| InChI Key | YSUQLAYJZDEMOT-UHFFFAOYNA-N |
| Molecular Formula | C7H14O2 |
1,4-Diazabicyclo[2.2.2]octane, 98%
CAS: 280-57-9 Molecular Formula: C6H12N2 Molecular Weight (g/mol): 112.176 MDL Number: MFCD00006689 InChI Key: IMNIMPAHZVJRPE-UHFFFAOYSA-N Synonym: 1,4-diazabicyclo 2.2.2 octane,triethylenediamine,dabco,dabco 33lv,1,4-ethylenepiperazine,dabco crystal,teda,texacat td 100,dabco s-25 PubChem CID: 9237 IUPAC Name: 1,4-diazabicyclo[2.2.2]octane SMILES: C1CN2CCN1CC2
| PubChem CID | 9237 |
|---|---|
| CAS | 280-57-9 |
| Molecular Weight (g/mol) | 112.176 |
| MDL Number | MFCD00006689 |
| SMILES | C1CN2CCN1CC2 |
| Synonym | 1,4-diazabicyclo 2.2.2 octane,triethylenediamine,dabco,dabco 33lv,1,4-ethylenepiperazine,dabco crystal,teda,texacat td 100,dabco s-25 |
| IUPAC Name | 1,4-diazabicyclo[2.2.2]octane |
| InChI Key | IMNIMPAHZVJRPE-UHFFFAOYSA-N |
| Molecular Formula | C6H12N2 |
Tetrahydropyran, 99%
CAS: 142-68-7 MDL Number: MFCD00006585 InChI Key: DHXVGJBLRPWPCS-UHFFFAOYSA-N Synonym: tetrahydropyran,tetrahydro-2h-pyran,oxacyclohexane,pentamethylene oxide,2h-pyran, tetrahydro,tetrahydropyrane,unii-v06i3ilg6b,2h-tetrahydropyran,v06i3ilg6b,pye PubChem CID: 8894 ChEBI: CHEBI:46941 IUPAC Name: oxane SMILES: C1CCOCC1
| PubChem CID | 8894 |
|---|---|
| CAS | 142-68-7 |
| ChEBI | CHEBI:46941 |
| MDL Number | MFCD00006585 |
| SMILES | C1CCOCC1 |
| Synonym | tetrahydropyran,tetrahydro-2h-pyran,oxacyclohexane,pentamethylene oxide,2h-pyran, tetrahydro,tetrahydropyrane,unii-v06i3ilg6b,2h-tetrahydropyran,v06i3ilg6b,pye |
| IUPAC Name | oxane |
| InChI Key | DHXVGJBLRPWPCS-UHFFFAOYSA-N |
Carbazole, 95%
CAS: 86-74-8 Molecular Formula: C12H9N Molecular Weight (g/mol): 167.21 MDL Number: MFCD00004960 InChI Key: UJOBWOGCFQCDNV-UHFFFAOYSA-N Synonym: carbazole,dibenzopyrrole,diphenylenimine,9-azafluorene,diphenylenimide,diphenyleneimine,dibenzo b,d pyrrole,usaf ek-600,unii-0p2197hhhn PubChem CID: 6854 ChEBI: CHEBI:27543 IUPAC Name: 9H-carbazole SMILES: N1C2=C(C=CC=C2)C2=C1C=CC=C2
| PubChem CID | 6854 |
|---|---|
| CAS | 86-74-8 |
| Molecular Weight (g/mol) | 167.21 |
| ChEBI | CHEBI:27543 |
| MDL Number | MFCD00004960 |
| SMILES | N1C2=C(C=CC=C2)C2=C1C=CC=C2 |
| Synonym | carbazole,dibenzopyrrole,diphenylenimine,9-azafluorene,diphenylenimide,diphenyleneimine,dibenzo b,d pyrrole,usaf ek-600,unii-0p2197hhhn |
| IUPAC Name | 9H-carbazole |
| InChI Key | UJOBWOGCFQCDNV-UHFFFAOYSA-N |
| Molecular Formula | C12H9N |
Dimidium bromide, 95%
CAS: 518-67-2 Molecular Formula: C20H18BrN3 Molecular Weight (g/mol): 380.29 MDL Number: MFCD00011757 InChI Key: MQOKYEROIFEEBH-UHFFFAOYSA-N Synonym: dimidium bromide,trypadine,3,8-diamino-5-methyl-6-phenylphenanthridinium bromide,phenanthridinium 1553,phenanthridinium compound 1553,phenanthridinium, 3,8-diamino-5-methyl-6-phenyl-, bromide,2,7-diamino-10-methyl-9-phenylphenanthridinium bromide,3,8-diamino-5-methyl-6-phenylphenanthridin-5-ium bromide,phenanthridium 1553 PubChem CID: 68207 IUPAC Name: 5-methyl-6-phenylphenanthridin-5-ium-3,8-diamine;bromide SMILES: [Br-].C[N+]1=C(C2=CC=CC=C2)C2=CC(N)=CC=C2C2=CC=C(N)C=C12
| PubChem CID | 68207 |
|---|---|
| CAS | 518-67-2 |
| Molecular Weight (g/mol) | 380.29 |
| MDL Number | MFCD00011757 |
| SMILES | [Br-].C[N+]1=C(C2=CC=CC=C2)C2=CC(N)=CC=C2C2=CC=C(N)C=C12 |
| Synonym | dimidium bromide,trypadine,3,8-diamino-5-methyl-6-phenylphenanthridinium bromide,phenanthridinium 1553,phenanthridinium compound 1553,phenanthridinium, 3,8-diamino-5-methyl-6-phenyl-, bromide,2,7-diamino-10-methyl-9-phenylphenanthridinium bromide,3,8-diamino-5-methyl-6-phenylphenanthridin-5-ium bromide,phenanthridium 1553 |
| IUPAC Name | 5-methyl-6-phenylphenanthridin-5-ium-3,8-diamine;bromide |
| InChI Key | MQOKYEROIFEEBH-UHFFFAOYSA-N |
| Molecular Formula | C20H18BrN3 |