Organoheterocyclic compounds
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Methylcobalamin Hydrate 98.0+%, TCI America™
CAS: 288315-09-3 Molecular Formula: C63H91CoN13O14P Molecular Weight (g/mol): 1344.40 MDL Number: MFCD00149221 InChI Key: XVLRGRFESMDSFT-BVWPOUIRNA-L Synonym: Mecobalamin PubChem CID: 133556284 IUPAC Name: (10S,12R,13R,24S,35R,41R)-30,35,40-tris(2-carbamoylethyl)-24,36,41-tris(carbamoylmethyl)-46-hydroxy-12-(hydroxymethyl)-1,5,6,17,23,28,31,31,36,38,41,42-dodecamethyl-15,20-dioxo-11,14,16-trioxa-2λ⁵,9,19,26λ⁵,43,44λ⁵,45λ⁵-heptaaza-15λ⁵-phospha-1-cobaltadodecacyclo[27.14.1.1¹,³⁴.1²,⁹.1¹⁰,¹³.0¹,²⁶.0³,⁸.0²³,²⁷.0²⁵,⁴².0³²,⁴⁴.0³⁹,⁴³.0³⁷,⁴⁵]heptatetraconta-2(47),3,5,7,26,28,32(44),33,37(45),38-decaene-1,2,26,44,45-pentakis(ylium)-15-olate SMILES: C(CC(N)=O)[C@@H]1C(CC(N)=O)(C)C2=[N+]3[Co+]456([N+]7=CN([C@]8(O[C@@H]([C@](OP(OC(CNC(CCC9([C@H](CC(N)=O)C([N+]4=C9C(C)=C4[N+]5=C(C(C4CCC(N)=O)(C)C)C=C13)C1([C@](CC(N)=O)(C(CCC(N)=O)C(=C2C)N61)C)C)C)=O)C)([O-])=O)(C8O)[H])CO)[H])C1=CC(C)=C(C=C71)C)C
| PubChem CID | 133556284 |
|---|---|
| CAS | 288315-09-3 |
| Molecular Weight (g/mol) | 1344.40 |
| MDL Number | MFCD00149221 |
| SMILES | C(CC(N)=O)[C@@H]1C(CC(N)=O)(C)C2=[N+]3[Co+]456([N+]7=CN([C@]8(O[C@@H]([C@](OP(OC(CNC(CCC9([C@H](CC(N)=O)C([N+]4=C9C(C)=C4[N+]5=C(C(C4CCC(N)=O)(C)C)C=C13)C1([C@](CC(N)=O)(C(CCC(N)=O)C(=C2C)N61)C)C)C)=O)C)([O-])=O)(C8O)[H])CO)[H])C1=CC(C)=C(C=C71)C)C |
| Synonym | Mecobalamin |
| IUPAC Name | (10S,12R,13R,24S,35R,41R)-30,35,40-tris(2-carbamoylethyl)-24,36,41-tris(carbamoylmethyl)-46-hydroxy-12-(hydroxymethyl)-1,5,6,17,23,28,31,31,36,38,41,42-dodecamethyl-15,20-dioxo-11,14,16-trioxa-2λ⁵,9,19,26λ⁵,43,44λ⁵,45λ⁵-heptaaza-15λ⁵-phospha-1-cobaltadodecacyclo[27.14.1.1¹,³⁴.1²,⁹.1¹⁰,¹³.0¹,²⁶.0³,⁸.0²³,²⁷.0²⁵,⁴².0³²,⁴⁴.0³⁹,⁴³.0³⁷,⁴⁵]heptatetraconta-2(47),3,5,7,26,28,32(44),33,37(45),38-decaene-1,2,26,44,45-pentakis(ylium)-15-olate |
| InChI Key | XVLRGRFESMDSFT-BVWPOUIRNA-L |
| Molecular Formula | C63H91CoN13O14P |
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 |
Levamisole Hydrochloride 99.0+%, TCI America™
CAS: 16595-80-5 Molecular Formula: C11H13ClN2S Molecular Weight (g/mol): 240.749 MDL Number: MFCD00012675 InChI Key: LAZPBGZRMVRFKY-HNCPQSOCSA-N Synonym: levamisole hydrochloride,levamisole hcl,ergamisol,tramisol,tramisole,decaris,--tetramisole hydrochloride,niratic hydrochloride,ascaridil,dekaris PubChem CID: 27944 ChEBI: CHEBI:6433 IUPAC Name: (6S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;hydrochloride SMILES: C1CSC2=NC(CN21)C3=CC=CC=C3.Cl
| PubChem CID | 27944 |
|---|---|
| CAS | 16595-80-5 |
| Molecular Weight (g/mol) | 240.749 |
| ChEBI | CHEBI:6433 |
| MDL Number | MFCD00012675 |
| SMILES | C1CSC2=NC(CN21)C3=CC=CC=C3.Cl |
| Synonym | levamisole hydrochloride,levamisole hcl,ergamisol,tramisol,tramisole,decaris,--tetramisole hydrochloride,niratic hydrochloride,ascaridil,dekaris |
| IUPAC Name | (6S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;hydrochloride |
| InChI Key | LAZPBGZRMVRFKY-HNCPQSOCSA-N |
| Molecular Formula | C11H13ClN2S |
1,1'-Carbonyldiimidazole, 97%
CAS: 530-62-1 Molecular Formula: C7H6N4O Molecular Weight (g/mol): 162.15 MDL Number: MFCD00005286 InChI Key: PFKFTWBEEFSNDU-UHFFFAOYSA-N Synonym: 1,1'-carbonyldiimidazole,n,n'-carbonyldiimidazole,carbonyldiimidazole,di 1h-imidazol-1-yl methanone,n,n-carbonyldiimidazole,1h-imidazole, 1,1'-carbonylbis,1,1'-carbonylbis-1h-imidazole,carbonyl diimidazole,diimidazol-1-yl ketone,1,1-carbonyldiimidazole PubChem CID: 68263 SMILES: O=C(N1C=CN=C1)N1C=CN=C1
| PubChem CID | 68263 |
|---|---|
| CAS | 530-62-1 |
| Molecular Weight (g/mol) | 162.15 |
| MDL Number | MFCD00005286 |
| SMILES | O=C(N1C=CN=C1)N1C=CN=C1 |
| Synonym | 1,1'-carbonyldiimidazole,n,n'-carbonyldiimidazole,carbonyldiimidazole,di 1h-imidazol-1-yl methanone,n,n-carbonyldiimidazole,1h-imidazole, 1,1'-carbonylbis,1,1'-carbonylbis-1h-imidazole,carbonyl diimidazole,diimidazol-1-yl ketone,1,1-carbonyldiimidazole |
| InChI Key | PFKFTWBEEFSNDU-UHFFFAOYSA-N |
| Molecular Formula | C7H6N4O |
Cyclohexene oxide, 98%
CAS: 286-20-4 Molecular Formula: C6H10O Molecular Weight (g/mol): 98.14 MDL Number: MFCD00005162 InChI Key: ZWAJLVLEBYIOTI-UHFFFAOYSA-N Synonym: cyclohexene oxide,7-oxabicyclo 4.1.0 heptane,1,2-epoxycyclohexane,cyclohexene epoxide,cyclohexylene oxide,tetramethyleneoxirane,cyclohexene 1-oxide,epoxycyclohexane,cyclohexeneoxide,1,2-cyclohexene oxide PubChem CID: 9246 IUPAC Name: 7-oxabicyclo[4.1.0]heptane SMILES: C1CCC2C(C1)O2
| PubChem CID | 9246 |
|---|---|
| CAS | 286-20-4 |
| Molecular Weight (g/mol) | 98.14 |
| MDL Number | MFCD00005162 |
| SMILES | C1CCC2C(C1)O2 |
| Synonym | cyclohexene oxide,7-oxabicyclo 4.1.0 heptane,1,2-epoxycyclohexane,cyclohexene epoxide,cyclohexylene oxide,tetramethyleneoxirane,cyclohexene 1-oxide,epoxycyclohexane,cyclohexeneoxide,1,2-cyclohexene oxide |
| IUPAC Name | 7-oxabicyclo[4.1.0]heptane |
| InChI Key | ZWAJLVLEBYIOTI-UHFFFAOYSA-N |
| Molecular Formula | C6H10O |
(±)-Mevalonolactone, 97%
CAS: 674-26-0 Molecular Formula: C6H10O3 Molecular Weight (g/mol): 130.14 MDL Number: MFCD00006648 InChI Key: JYVXNLLUYHCIIH-UHFFFAOYNA-N Synonym: mevalonolactone,dl-mevalonic acid lactone,dl-mevalonolactone,4-hydroxy-4-methyltetrahydro-2h-pyran-2-one,mevalonic acid lactone,mevalonic lactone,dl-mevalolactone,2h-pyran-2-one, tetrahydro-4-hydroxy-4-methyl,2h-pyran-2-one, tetrahydro-4-hydroxy-4-methyl-, .+/-.,1-tetrahydro-4-hydroxy-4-methyl-2h-pyran-2-one PubChem CID: 10428 IUPAC Name: 4-hydroxy-4-methyloxan-2-one SMILES: CC1(O)CCOC(=O)C1
| PubChem CID | 10428 |
|---|---|
| CAS | 674-26-0 |
| Molecular Weight (g/mol) | 130.14 |
| MDL Number | MFCD00006648 |
| SMILES | CC1(O)CCOC(=O)C1 |
| Synonym | mevalonolactone,dl-mevalonic acid lactone,dl-mevalonolactone,4-hydroxy-4-methyltetrahydro-2h-pyran-2-one,mevalonic acid lactone,mevalonic lactone,dl-mevalolactone,2h-pyran-2-one, tetrahydro-4-hydroxy-4-methyl,2h-pyran-2-one, tetrahydro-4-hydroxy-4-methyl-, .+/-.,1-tetrahydro-4-hydroxy-4-methyl-2h-pyran-2-one |
| IUPAC Name | 4-hydroxy-4-methyloxan-2-one |
| InChI Key | JYVXNLLUYHCIIH-UHFFFAOYNA-N |
| Molecular Formula | C6H10O3 |
N-Bromosuccinimide, 99%
CAS: 128-08-5 Molecular Formula: C4H4BrNO2 Molecular Weight (g/mol): 177.985 MDL Number: MFCD00005510 InChI Key: PCLIMKBDDGJMGD-UHFFFAOYSA-N Synonym: n-bromosuccinimide,succinbromimide,succinbromide,succinibromimide,n-bromosuccimide,2,5-pyrrolidinedione, 1-bromo,1-bromo-2,5-pyrrolidinedione,bromosuccinimide,nbs,n-bromo succinimide PubChem CID: 67184 ChEBI: CHEBI:53174 IUPAC Name: 1-bromopyrrolidine-2,5-dione SMILES: C1CC(=O)N(C1=O)Br
| PubChem CID | 67184 |
|---|---|
| CAS | 128-08-5 |
| Molecular Weight (g/mol) | 177.985 |
| ChEBI | CHEBI:53174 |
| MDL Number | MFCD00005510 |
| SMILES | C1CC(=O)N(C1=O)Br |
| Synonym | n-bromosuccinimide,succinbromimide,succinbromide,succinibromimide,n-bromosuccimide,2,5-pyrrolidinedione, 1-bromo,1-bromo-2,5-pyrrolidinedione,bromosuccinimide,nbs,n-bromo succinimide |
| IUPAC Name | 1-bromopyrrolidine-2,5-dione |
| InChI Key | PCLIMKBDDGJMGD-UHFFFAOYSA-N |
| Molecular Formula | C4H4BrNO2 |
2-Mercaptoimidazole, 98%
CAS: 872-35-5 Molecular Formula: C3H4N2S Molecular Weight (g/mol): 100.14 MDL Number: MFCD00005188 InChI Key: OXFSTTJBVAAALW-UHFFFAOYSA-N Synonym: 2-mercaptoimidazole,1h-imidazole-2-thiol,imidazole-2-thiol,1h-imidazole-2 3h-thione,4-imidazoline-2-thione,1,3-vinylenethiourea,imidazole, 2-mercapto,2h-imidazole-2-thione, 1,3-dihydro,usaf el-57,mercaptoimidazole PubChem CID: 1201386 IUPAC Name: 2,3-dihydro-1H-imidazole-2-thione SMILES: SC1=NC=CN1
| PubChem CID | 1201386 |
|---|---|
| CAS | 872-35-5 |
| Molecular Weight (g/mol) | 100.14 |
| MDL Number | MFCD00005188 |
| SMILES | SC1=NC=CN1 |
| Synonym | 2-mercaptoimidazole,1h-imidazole-2-thiol,imidazole-2-thiol,1h-imidazole-2 3h-thione,4-imidazoline-2-thione,1,3-vinylenethiourea,imidazole, 2-mercapto,2h-imidazole-2-thione, 1,3-dihydro,usaf el-57,mercaptoimidazole |
| IUPAC Name | 2,3-dihydro-1H-imidazole-2-thione |
| InChI Key | OXFSTTJBVAAALW-UHFFFAOYSA-N |
| Molecular Formula | C3H4N2S |
1-Ethyl-3-methylimidazolium acetate, 97%
CAS: 143314-17-4 Molecular Formula: C8H14N2O2 Molecular Weight (g/mol): 170.212 MDL Number: MFCD06798186 InChI Key: XIYUIMLQTKODPS-UHFFFAOYSA-M Synonym: 1-ethyl-3-methylimidazolium acetate,basionic tm bc 01,emim ac,1-ethyl-3-methylimidazoliumacetate,basionics™ bc 01,acmc-1c26d,1h-imidazolium, 3-ethyl-1-methyl-, acetate 1:1,1-methyl-3-ethylimidazolium acetate,1-ethyl-3-methylimidazolium acetate hplc PubChem CID: 11658353 IUPAC Name: 1-ethyl-3-methylimidazol-3-ium;acetate SMILES: CCN1C=C[N+](=C1)C.CC(=O)[O-]
| PubChem CID | 11658353 |
|---|---|
| CAS | 143314-17-4 |
| Molecular Weight (g/mol) | 170.212 |
| MDL Number | MFCD06798186 |
| SMILES | CCN1C=C[N+](=C1)C.CC(=O)[O-] |
| Synonym | 1-ethyl-3-methylimidazolium acetate,basionic tm bc 01,emim ac,1-ethyl-3-methylimidazoliumacetate,basionics™ bc 01,acmc-1c26d,1h-imidazolium, 3-ethyl-1-methyl-, acetate 1:1,1-methyl-3-ethylimidazolium acetate,1-ethyl-3-methylimidazolium acetate hplc |
| IUPAC Name | 1-ethyl-3-methylimidazol-3-ium;acetate |
| InChI Key | XIYUIMLQTKODPS-UHFFFAOYSA-M |
| Molecular Formula | C8H14N2O2 |
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 |
Maleimide, 98%
CAS: 541-59-3 Molecular Formula: C8H4AgKN2O4 Molecular Weight (g/mol): 339.10 MDL Number: MFCD00005494 InChI Key: KWLWLQRUFFGWNG-UHFFFAOYSA-L Synonym: maleimide,1h-pyrrole-2,5-dione,2,5-pyrroledione,maleinimide,maleic imide,3-pyrroline-2,5-dione,2,5-dihydro-1h-pyrrole-2,5-dione,unii-2519r1ugp8,ccris 3408,5-hydroxy-2h-pyrrol-2-one PubChem CID: 10935 ChEBI: CHEBI:16072 SMILES: [K+].[Ag+].O=C1[N-]C(=O)C=C1.O=C1[N-]C(=O)C=C1
| PubChem CID | 10935 |
|---|---|
| CAS | 541-59-3 |
| Molecular Weight (g/mol) | 339.10 |
| ChEBI | CHEBI:16072 |
| MDL Number | MFCD00005494 |
| SMILES | [K+].[Ag+].O=C1[N-]C(=O)C=C1.O=C1[N-]C(=O)C=C1 |
| Synonym | maleimide,1h-pyrrole-2,5-dione,2,5-pyrroledione,maleinimide,maleic imide,3-pyrroline-2,5-dione,2,5-dihydro-1h-pyrrole-2,5-dione,unii-2519r1ugp8,ccris 3408,5-hydroxy-2h-pyrrol-2-one |
| InChI Key | KWLWLQRUFFGWNG-UHFFFAOYSA-L |
| Molecular Formula | C8H4AgKN2O4 |
2-Mercapto-1-methylimidazole, 98%
CAS: 60-56-0 Molecular Formula: C4H6N2S Molecular Weight (g/mol): 114.17 MDL Number: MFCD00179321 InChI Key: PMRYVIKBURPHAH-UHFFFAOYSA-N Synonym: methimazole,thiamazole,2-mercapto-1-methylimidazole,tapazole,mercazolyl,1-methylimidazole-2-thiol,mercazole,metazolo,methimazol,thiamazol PubChem CID: 1349907 ChEBI: CHEBI:50673 IUPAC Name: 3-methyl-1H-imidazole-2-thione SMILES: CN1C=CNC1=S
| PubChem CID | 1349907 |
|---|---|
| CAS | 60-56-0 |
| Molecular Weight (g/mol) | 114.17 |
| ChEBI | CHEBI:50673 |
| MDL Number | MFCD00179321 |
| SMILES | CN1C=CNC1=S |
| Synonym | methimazole,thiamazole,2-mercapto-1-methylimidazole,tapazole,mercazolyl,1-methylimidazole-2-thiol,mercazole,metazolo,methimazol,thiamazol |
| IUPAC Name | 3-methyl-1H-imidazole-2-thione |
| InChI Key | PMRYVIKBURPHAH-UHFFFAOYSA-N |
| Molecular Formula | C4H6N2S |
Iminodibenzyl, 97%
CAS: 494-19-9 Molecular Formula: C14H13N Molecular Weight (g/mol): 195.27 MDL Number: MFCD00005070 InChI Key: ZSMRRZONCYIFNB-UHFFFAOYSA-N Synonym: iminodibenzyl,10,11-dihydro-5h-dibenzo b,f azepine,10,11-dihydro-5h-dibenz b,f azepine,iminobibenzyl,2,2'-iminodibenzyl,2,2'-iminobibenzyl,iminodibenyl,5h-dibenz b,f azepine, 10,11-dihydro,unii-262bx7oe3u,10,11-dihydro-5-dibenz b,f azepine PubChem CID: 10308 SMILES: C1CC2=CC=CC=C2NC2=CC=CC=C12
| PubChem CID | 10308 |
|---|---|
| CAS | 494-19-9 |
| Molecular Weight (g/mol) | 195.27 |
| MDL Number | MFCD00005070 |
| SMILES | C1CC2=CC=CC=C2NC2=CC=CC=C12 |
| Synonym | iminodibenzyl,10,11-dihydro-5h-dibenzo b,f azepine,10,11-dihydro-5h-dibenz b,f azepine,iminobibenzyl,2,2'-iminodibenzyl,2,2'-iminobibenzyl,iminodibenyl,5h-dibenz b,f azepine, 10,11-dihydro,unii-262bx7oe3u,10,11-dihydro-5-dibenz b,f azepine |
| InChI Key | ZSMRRZONCYIFNB-UHFFFAOYSA-N |
| Molecular Formula | C14H13N |
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 |
Ethidium bromide, 95%, pure
CAS: 1239-45-8 Molecular Formula: C21H20BrN3 Molecular Weight (g/mol): 394.32 MDL Number: MFCD00011724 InChI Key: ZMMJGEGLRURXTF-UHFFFAOYSA-N Synonym: ethidium bromide,homidium bromide,dromilac,3,8-diamino-5-ethyl-6-phenylphenanthridinium bromide,ethydium bromide,3,8-diamino-5-ethyl-6-phenylphenanthridin-5-ium bromide,etbr,2,7-diamino-10-ethyl-9-phenylphenanthridinium bromide,2,7-diamino-9-phenyl-10-ethylphenanthridinium bromide,unii-059nuo2z1l PubChem CID: 14710 ChEBI: CHEBI:4883 IUPAC Name: 5-ethyl-6-phenylphenanthridin-5-ium-3,8-diamine;bromide SMILES: [Br-].CC[N+]1=C(C2=CC=CC=C2)C2=CC(N)=CC=C2C2=CC=C(N)C=C12
| PubChem CID | 14710 |
|---|---|
| CAS | 1239-45-8 |
| Molecular Weight (g/mol) | 394.32 |
| ChEBI | CHEBI:4883 |
| MDL Number | MFCD00011724 |
| SMILES | [Br-].CC[N+]1=C(C2=CC=CC=C2)C2=CC(N)=CC=C2C2=CC=C(N)C=C12 |
| Synonym | ethidium bromide,homidium bromide,dromilac,3,8-diamino-5-ethyl-6-phenylphenanthridinium bromide,ethydium bromide,3,8-diamino-5-ethyl-6-phenylphenanthridin-5-ium bromide,etbr,2,7-diamino-10-ethyl-9-phenylphenanthridinium bromide,2,7-diamino-9-phenyl-10-ethylphenanthridinium bromide,unii-059nuo2z1l |
| IUPAC Name | 5-ethyl-6-phenylphenanthridin-5-ium-3,8-diamine;bromide |
| InChI Key | ZMMJGEGLRURXTF-UHFFFAOYSA-N |
| Molecular Formula | C21H20BrN3 |