Organoheterocyclic compounds
Filtered Search Results
1-Chlorophthalazin-4-one, 98%
CAS: 2257-69-4 Molecular Formula: C8H5ClN2O Molecular Weight (g/mol): 180.59 MDL Number: MFCD00102192 InChI Key: QCKGMJDOJRNSMS-UHFFFAOYSA-N Synonym: 4-chlorophthalazin-1 2h-one,4-chloro-1,2-dihydrophthalazin-1-one,4-chlorophthalazin-1-ol,1 2h-phthalazinone, 4-chloro,4-chloro-1 2h-phthalazinone,4-chlorophthalazone,4-chloro-1-phthalazinol,4-chlorophthalazin-1-one,1-chlorophthalazin-4-one,1-chlorophthalazine-4-one PubChem CID: 2775142 SMILES: ClC1=NNC(=O)C2=CC=CC=C12
| PubChem CID | 2775142 |
|---|---|
| CAS | 2257-69-4 |
| Molecular Weight (g/mol) | 180.59 |
| MDL Number | MFCD00102192 |
| SMILES | ClC1=NNC(=O)C2=CC=CC=C12 |
| Synonym | 4-chlorophthalazin-1 2h-one,4-chloro-1,2-dihydrophthalazin-1-one,4-chlorophthalazin-1-ol,1 2h-phthalazinone, 4-chloro,4-chloro-1 2h-phthalazinone,4-chlorophthalazone,4-chloro-1-phthalazinol,4-chlorophthalazin-1-one,1-chlorophthalazin-4-one,1-chlorophthalazine-4-one |
| InChI Key | QCKGMJDOJRNSMS-UHFFFAOYSA-N |
| Molecular Formula | C8H5ClN2O |
6-Methyl-3(2H)-pyridazinone, 98%
CAS: 13327-27-0 Molecular Formula: C5H6N2O Molecular Weight (g/mol): 110.12 MDL Number: MFCD00039720 InChI Key: QZWIXLPWMGHDDD-UHFFFAOYSA-N Synonym: 6-methylpyridazin-3 2h-one,6-methyl-3 2h-pyridazinone,6-methylpyridazin-3-ol,6-methyl-2h-pyridazin-3-one,6-methyl-3-pyridazinone,3-hydroxy-6-methylpyridazine,3 2h-pyridazinone, 6-methyl,6-methyl-2,3-dihydropyridazin-3-one,6me3oxopyridaz PubChem CID: 83346 IUPAC Name: 3-methyl-1H-pyridazin-6-one SMILES: CC1=NNC(=O)C=C1
| PubChem CID | 83346 |
|---|---|
| CAS | 13327-27-0 |
| Molecular Weight (g/mol) | 110.12 |
| MDL Number | MFCD00039720 |
| SMILES | CC1=NNC(=O)C=C1 |
| Synonym | 6-methylpyridazin-3 2h-one,6-methyl-3 2h-pyridazinone,6-methylpyridazin-3-ol,6-methyl-2h-pyridazin-3-one,6-methyl-3-pyridazinone,3-hydroxy-6-methylpyridazine,3 2h-pyridazinone, 6-methyl,6-methyl-2,3-dihydropyridazin-3-one,6me3oxopyridaz |
| IUPAC Name | 3-methyl-1H-pyridazin-6-one |
| InChI Key | QZWIXLPWMGHDDD-UHFFFAOYSA-N |
| Molecular Formula | C5H6N2O |
1,2,4-1H-Triazole, 99.5%
CAS: 288-88-0 Molecular Formula: C2H3N3 Molecular Weight (g/mol): 69.06 MDL Number: MFCD00005228 InChI Key: NSPMIYGKQJPBQR-UHFFFAOYSA-N Synonym: 1,2,4-triazole,4h-1,2,4-triazole,pyrrodiazole,s-triazole,1,2,4-1h-triazole,1h-1,2,4-triazol,unii-10ms0y1rdi,1,2,4 triazole,1,2,4-triazol,4h-1,2,4-triazole van PubChem CID: 9257 ChEBI: CHEBI:35550 IUPAC Name: 1H-1,2,4-triazole SMILES: C1=NC=NN1
| PubChem CID | 9257 |
|---|---|
| CAS | 288-88-0 |
| Molecular Weight (g/mol) | 69.06 |
| ChEBI | CHEBI:35550 |
| MDL Number | MFCD00005228 |
| SMILES | C1=NC=NN1 |
| Synonym | 1,2,4-triazole,4h-1,2,4-triazole,pyrrodiazole,s-triazole,1,2,4-1h-triazole,1h-1,2,4-triazol,unii-10ms0y1rdi,1,2,4 triazole,1,2,4-triazol,4h-1,2,4-triazole van |
| IUPAC Name | 1H-1,2,4-triazole |
| InChI Key | NSPMIYGKQJPBQR-UHFFFAOYSA-N |
| Molecular Formula | C2H3N3 |
6-Methoxytryptamine, 99%
CAS: 3610-36-4 Molecular Formula: C11H14N2O Molecular Weight (g/mol): 190.24 MDL Number: MFCD00005663 InChI Key: VOCGEKMEZOPDFP-UHFFFAOYSA-N PubChem CID: 17654 IUPAC Name: 2-(6-methoxy-1H-indol-3-yl)ethanamine SMILES: COC1=CC2=C(C=C1)C(=CN2)CCN
| PubChem CID | 17654 |
|---|---|
| CAS | 3610-36-4 |
| Molecular Weight (g/mol) | 190.24 |
| MDL Number | MFCD00005663 |
| SMILES | COC1=CC2=C(C=C1)C(=CN2)CCN |
| IUPAC Name | 2-(6-methoxy-1H-indol-3-yl)ethanamine |
| InChI Key | VOCGEKMEZOPDFP-UHFFFAOYSA-N |
| Molecular Formula | C11H14N2O |
(S)-1-Boc-2-isopropylpiperazine, 97%
CAS: 674792-05-3 Molecular Formula: C12H24N2O2 Molecular Weight (g/mol): 228.34 MDL Number: MFCD03787918 InChI Key: NZTWGWFHWJARJX-SNVBAGLBSA-N Synonym: s-1-boc-2-isopropylpiperazine,s-1-boc-2-isopropyl-piperazine,s-tert-butyl 2-isopropylpiperazine-1-carboxylate,tert-butyl 2s-2-propan-2-yl piperazine-1-carboxylate,1-n-boc-2s-isopropyl-piperazine,tert-butyl 2s-2-isopropylpiperazine-1-carboxylate,s-n-1-boc-2-isopropylpiperazine,2s-1-n-boc-2-isopropylpiperazine,s-1-n-boc-2-isopropyl piperazine PubChem CID: 17750439 IUPAC Name: tert-butyl (2S)-2-propan-2-ylpiperazine-1-carboxylate SMILES: CC(C)[C@H]1CNCCN1C(=O)OC(C)(C)C
| PubChem CID | 17750439 |
|---|---|
| CAS | 674792-05-3 |
| Molecular Weight (g/mol) | 228.34 |
| MDL Number | MFCD03787918 |
| SMILES | CC(C)[C@H]1CNCCN1C(=O)OC(C)(C)C |
| Synonym | s-1-boc-2-isopropylpiperazine,s-1-boc-2-isopropyl-piperazine,s-tert-butyl 2-isopropylpiperazine-1-carboxylate,tert-butyl 2s-2-propan-2-yl piperazine-1-carboxylate,1-n-boc-2s-isopropyl-piperazine,tert-butyl 2s-2-isopropylpiperazine-1-carboxylate,s-n-1-boc-2-isopropylpiperazine,2s-1-n-boc-2-isopropylpiperazine,s-1-n-boc-2-isopropyl piperazine |
| IUPAC Name | tert-butyl (2S)-2-propan-2-ylpiperazine-1-carboxylate |
| InChI Key | NZTWGWFHWJARJX-SNVBAGLBSA-N |
| Molecular Formula | C12H24N2O2 |
5-Amino-2-(hydroxymethyl)benzeneboronic acid hemiester hydrochloride, 95%
CAS: 117098-93-8 Molecular Formula: C7H9BClNO2 Molecular Weight (g/mol): 185.41 MDL Number: MFCD04115645 InChI Key: ZDCBDYGPSUVCOU-UHFFFAOYSA-N Synonym: 6-aminobenzo c 1,2 oxaborol-1 3h-ol hydrochloride,6-amino-1-hydroxy-2,1-benzoxaborolane hydrochloride,5-amino-2-hydroxymethylphenylboronic acid, hcl, dehydrate,5-amino-2-hydroxymethylphenyl boronic acid, hcl, dehydrate,6-amino-3h-2,1-benzoxaborol-1-ol hydrochloride,1-hydroxy-3h-2,1-benzoxaborol-6-amine hydrochloride,5-amino-2-hydroxymethylphenyl boronic acid, hydrochloride, dehydrate,6-amino-1-hydroxy-2,1-benzoxaborolane, hcl,6-amino-2,1-benzoxaborol-1 3h-ol-hydrogen chloride 1/1,5-amino-2-hydroxymethylphenyl boronicacid, hcl, dehydrate PubChem CID: 44118730 IUPAC Name: 1-hydroxy-3H-2,1-benzoxaborol-6-amine;hydrochloride SMILES: Cl.NC1=CC2=C(COB2O)C=C1
| PubChem CID | 44118730 |
|---|---|
| CAS | 117098-93-8 |
| Molecular Weight (g/mol) | 185.41 |
| MDL Number | MFCD04115645 |
| SMILES | Cl.NC1=CC2=C(COB2O)C=C1 |
| Synonym | 6-aminobenzo c 1,2 oxaborol-1 3h-ol hydrochloride,6-amino-1-hydroxy-2,1-benzoxaborolane hydrochloride,5-amino-2-hydroxymethylphenylboronic acid, hcl, dehydrate,5-amino-2-hydroxymethylphenyl boronic acid, hcl, dehydrate,6-amino-3h-2,1-benzoxaborol-1-ol hydrochloride,1-hydroxy-3h-2,1-benzoxaborol-6-amine hydrochloride,5-amino-2-hydroxymethylphenyl boronic acid, hydrochloride, dehydrate,6-amino-1-hydroxy-2,1-benzoxaborolane, hcl,6-amino-2,1-benzoxaborol-1 3h-ol-hydrogen chloride 1/1,5-amino-2-hydroxymethylphenyl boronicacid, hcl, dehydrate |
| IUPAC Name | 1-hydroxy-3H-2,1-benzoxaborol-6-amine;hydrochloride |
| InChI Key | ZDCBDYGPSUVCOU-UHFFFAOYSA-N |
| Molecular Formula | C7H9BClNO2 |
1-Boc-2-phenylpiperazine, 97%
CAS: 886766-60-5 Molecular Formula: C15H22N2O2 Molecular Weight (g/mol): 262.353 MDL Number: MFCD07367734 InChI Key: DVOURBIBCQYVCC-UHFFFAOYSA-N Synonym: 1-boc-2-phenylpiperazine,n-1-boc-2-phenyl piperizine,n-1-boc-2-phenylpiperazine,1-n-boc-2-phenylpiperazine,n-boc-2-bhenyl piperazine,2-phenylpiperazine, n1-boc protected,2-phenyl-piperazine-1-carboxylic acid tert-butyl ester,n1-boc-2-phenylpiperazine,n-1-boc-2-phenyl-piperazine,tert-butyl 2-phenylpiperazinecarboxylate PubChem CID: 16740572 IUPAC Name: tert-butyl 2-phenylpiperazine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCNCC1C2=CC=CC=C2
| PubChem CID | 16740572 |
|---|---|
| CAS | 886766-60-5 |
| Molecular Weight (g/mol) | 262.353 |
| MDL Number | MFCD07367734 |
| SMILES | CC(C)(C)OC(=O)N1CCNCC1C2=CC=CC=C2 |
| Synonym | 1-boc-2-phenylpiperazine,n-1-boc-2-phenyl piperizine,n-1-boc-2-phenylpiperazine,1-n-boc-2-phenylpiperazine,n-boc-2-bhenyl piperazine,2-phenylpiperazine, n1-boc protected,2-phenyl-piperazine-1-carboxylic acid tert-butyl ester,n1-boc-2-phenylpiperazine,n-1-boc-2-phenyl-piperazine,tert-butyl 2-phenylpiperazinecarboxylate |
| IUPAC Name | tert-butyl 2-phenylpiperazine-1-carboxylate |
| InChI Key | DVOURBIBCQYVCC-UHFFFAOYSA-N |
| Molecular Formula | C15H22N2O2 |
3,6-Dibromocarbazole, 99%
CAS: 6825-20-3 Molecular Formula: C12H7Br2N Molecular Weight (g/mol): 325.003 MDL Number: MFCD00004961 InChI Key: FIHILUSWISKVSR-UHFFFAOYSA-N Synonym: 3,6-dibromocarbazole,9h-carbazole, 3,6-dibromo,carbazole, 3,6-dibromo,pubchem9951,3,6-dibromo-carbazole,acmc-209o2m,3,6,-dibromo-9h-carbazole,3,6-dibromo-9-h-carbazole,ksc490o8t PubChem CID: 274874 IUPAC Name: 3,6-dibromo-9H-carbazole SMILES: C1=CC2=C(C=C1Br)C3=C(N2)C=CC(=C3)Br
| PubChem CID | 274874 |
|---|---|
| CAS | 6825-20-3 |
| Molecular Weight (g/mol) | 325.003 |
| MDL Number | MFCD00004961 |
| SMILES | C1=CC2=C(C=C1Br)C3=C(N2)C=CC(=C3)Br |
| Synonym | 3,6-dibromocarbazole,9h-carbazole, 3,6-dibromo,carbazole, 3,6-dibromo,pubchem9951,3,6-dibromo-carbazole,acmc-209o2m,3,6,-dibromo-9h-carbazole,3,6-dibromo-9-h-carbazole,ksc490o8t |
| IUPAC Name | 3,6-dibromo-9H-carbazole |
| InChI Key | FIHILUSWISKVSR-UHFFFAOYSA-N |
| Molecular Formula | C12H7Br2N |
1-Amino-4-cyclopentylpiperazine, 97%
CAS: 61379-64-4 Molecular Formula: C9H19N3 Molecular Weight (g/mol): 169.272 MDL Number: MFCD00190598 InChI Key: QYHRIASMJNLWHJ-UHFFFAOYSA-N PubChem CID: 1512485 IUPAC Name: 4-cyclopentylpiperazin-1-amine SMILES: C1CCC(C1)N2CCN(CC2)N
| PubChem CID | 1512485 |
|---|---|
| CAS | 61379-64-4 |
| Molecular Weight (g/mol) | 169.272 |
| MDL Number | MFCD00190598 |
| SMILES | C1CCC(C1)N2CCN(CC2)N |
| IUPAC Name | 4-cyclopentylpiperazin-1-amine |
| InChI Key | QYHRIASMJNLWHJ-UHFFFAOYSA-N |
| Molecular Formula | C9H19N3 |
4-Chloroquinoline-6-boronic acid pinacol ester, 96%
CAS: 1201844-73-6 Molecular Formula: C15H17BClNO2 Molecular Weight (g/mol): 289.566 MDL Number: MFCD16987803 InChI Key: ANPKKHFSNJKOAM-UHFFFAOYSA-N Synonym: 4-chloro-6-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl quinoline,4-chloroquinoline-6-boronic acid pinacol ester,quinoline, 4-chloro-6-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl PubChem CID: 53363436 IUPAC Name: 4-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=CN=C3C=C2)Cl
| PubChem CID | 53363436 |
|---|---|
| CAS | 1201844-73-6 |
| Molecular Weight (g/mol) | 289.566 |
| MDL Number | MFCD16987803 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=CN=C3C=C2)Cl |
| Synonym | 4-chloro-6-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl quinoline,4-chloroquinoline-6-boronic acid pinacol ester,quinoline, 4-chloro-6-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl |
| IUPAC Name | 4-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline |
| InChI Key | ANPKKHFSNJKOAM-UHFFFAOYSA-N |
| Molecular Formula | C15H17BClNO2 |
4-Thiouracil, 97%, Thermo Scientific Chemicals
CAS: 591-28-6 Molecular Formula: C4H4N2OS Molecular Weight (g/mol): 128.15 MDL Number: MFCD00090842 InChI Key: OVONXEQGWXGFJD-UHFFFAOYSA-N Synonym: 4-thiouracil,2-hydroxy-4 1h-pyrimidinethione,4-thioxo-3,4-dihydropyrimidin-2 1h-one,2-hydroxy-4-mercaptopyrimidine,uracil, 4-thio,4-mercaptopyrimidin-2-ol,4-sulfanylpyrimidin-2-ol,2-hydroxy-4-thiopyrimidine,2 1h-pyrimidinone, 3,4-dihydro-4-thioxo,2 1h-pyrimidinone, 4-mercapto-9ci PubChem CID: 2734394 IUPAC Name: 4-sulfanylidene-1,2,3,4-tetrahydropyrimidin-2-one SMILES: O=C1NC=CC(=S)N1
| PubChem CID | 2734394 |
|---|---|
| CAS | 591-28-6 |
| Molecular Weight (g/mol) | 128.15 |
| MDL Number | MFCD00090842 |
| SMILES | O=C1NC=CC(=S)N1 |
| Synonym | 4-thiouracil,2-hydroxy-4 1h-pyrimidinethione,4-thioxo-3,4-dihydropyrimidin-2 1h-one,2-hydroxy-4-mercaptopyrimidine,uracil, 4-thio,4-mercaptopyrimidin-2-ol,4-sulfanylpyrimidin-2-ol,2-hydroxy-4-thiopyrimidine,2 1h-pyrimidinone, 3,4-dihydro-4-thioxo,2 1h-pyrimidinone, 4-mercapto-9ci |
| IUPAC Name | 4-sulfanylidene-1,2,3,4-tetrahydropyrimidin-2-one |
| InChI Key | OVONXEQGWXGFJD-UHFFFAOYSA-N |
| Molecular Formula | C4H4N2OS |
1-Boc-5-methoxyindole-2-boronic acid, 95%
CAS: 290331-71-4 Molecular Formula: C14H18BNO5 Molecular Weight (g/mol): 291.11 MDL Number: MFCD04039006 InChI Key: PZLVPMBCKHDVKT-UHFFFAOYSA-N Synonym: 1-tert-butoxycarbonyl-5-methoxy-1h-indol-2-ylboronic acid,n-boc-5-methoxy-2-indolylboronic acid,1-boc-5-methoxyindole-2-boronic acid,1-tert-butoxycarbonyl-5-methoxy-1h-indol-2-yl boronic acid,n-boc-5-methoxyindole-2-boronic acid,1-boc-5-methoxy-1h-indole-2-boronic acid,1-tert-butoxycarbonyl-5-methoxyindol-2-ylboronic acid,pubchem24022,acmc-1cjok PubChem CID: 2794716 IUPAC Name: [5-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid SMILES: COC1=CC=C2N(C(=O)OC(C)(C)C)C(=CC2=C1)B(O)O
| PubChem CID | 2794716 |
|---|---|
| CAS | 290331-71-4 |
| Molecular Weight (g/mol) | 291.11 |
| MDL Number | MFCD04039006 |
| SMILES | COC1=CC=C2N(C(=O)OC(C)(C)C)C(=CC2=C1)B(O)O |
| Synonym | 1-tert-butoxycarbonyl-5-methoxy-1h-indol-2-ylboronic acid,n-boc-5-methoxy-2-indolylboronic acid,1-boc-5-methoxyindole-2-boronic acid,1-tert-butoxycarbonyl-5-methoxy-1h-indol-2-yl boronic acid,n-boc-5-methoxyindole-2-boronic acid,1-boc-5-methoxy-1h-indole-2-boronic acid,1-tert-butoxycarbonyl-5-methoxyindol-2-ylboronic acid,pubchem24022,acmc-1cjok |
| IUPAC Name | [5-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid |
| InChI Key | PZLVPMBCKHDVKT-UHFFFAOYSA-N |
| Molecular Formula | C14H18BNO5 |
Furo[3,2-b]pyridine-2-carboxylic acid, 97%
CAS: 112372-14-2 Molecular Formula: C8H5NO3 Molecular Weight (g/mol): 163.13 MDL Number: MFCD11588128 InChI Key: VHRCHODSRLMXFM-UHFFFAOYSA-N Synonym: furo 3,2-b pyridine-2-carboxylic acid,acmc-20mg3q,2-carboxyfuro 3,2-b pyridine PubChem CID: 13803071 IUPAC Name: furo[3,2-b]pyridine-2-carboxylic acid SMILES: OC(=O)C1=CC2=NC=CC=C2O1
| PubChem CID | 13803071 |
|---|---|
| CAS | 112372-14-2 |
| Molecular Weight (g/mol) | 163.13 |
| MDL Number | MFCD11588128 |
| SMILES | OC(=O)C1=CC2=NC=CC=C2O1 |
| Synonym | furo 3,2-b pyridine-2-carboxylic acid,acmc-20mg3q,2-carboxyfuro 3,2-b pyridine |
| IUPAC Name | furo[3,2-b]pyridine-2-carboxylic acid |
| InChI Key | VHRCHODSRLMXFM-UHFFFAOYSA-N |
| Molecular Formula | C8H5NO3 |
(S)-2-Benzyl-1-Boc-piperazine, 97%, Thermo Scientific Chemicals
CAS: 169447-86-3 Molecular Formula: C16H24N2O2 Molecular Weight (g/mol): 276.38 MDL Number: MFCD03787923 InChI Key: QKUHUJCLUFLGCI-AWEZNQCLSA-N Synonym: s-1-boc-2-benzylpiperazine,s-1-boc-2-benzyl-piperazine,s-tert-butyl 2-benzylpiperazine-1-carboxylate,tert-butyl 2s-2-benzylpiperazine-1-carboxylate,s-n1-boc-2-benzylpiperazine,2 s-benzyl-piperazine-1-carboxylic acid tert-butyl ester,s-2-benzyl-piperazine-1-carboxylic acid tert-butyl ester,n1-boc-2-benzylpiperazine,s-1-n-boc-2-benzylpiperazine,s-2-benzyl-1-boc-piperazine PubChem CID: 17750441 IUPAC Name: tert-butyl (2S)-2-benzylpiperazine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCNC[C@@H]1CC1=CC=CC=C1
| PubChem CID | 17750441 |
|---|---|
| CAS | 169447-86-3 |
| Molecular Weight (g/mol) | 276.38 |
| MDL Number | MFCD03787923 |
| SMILES | CC(C)(C)OC(=O)N1CCNC[C@@H]1CC1=CC=CC=C1 |
| Synonym | s-1-boc-2-benzylpiperazine,s-1-boc-2-benzyl-piperazine,s-tert-butyl 2-benzylpiperazine-1-carboxylate,tert-butyl 2s-2-benzylpiperazine-1-carboxylate,s-n1-boc-2-benzylpiperazine,2 s-benzyl-piperazine-1-carboxylic acid tert-butyl ester,s-2-benzyl-piperazine-1-carboxylic acid tert-butyl ester,n1-boc-2-benzylpiperazine,s-1-n-boc-2-benzylpiperazine,s-2-benzyl-1-boc-piperazine |
| IUPAC Name | tert-butyl (2S)-2-benzylpiperazine-1-carboxylate |
| InChI Key | QKUHUJCLUFLGCI-AWEZNQCLSA-N |
| Molecular Formula | C16H24N2O2 |
Ketoconazole, 98%
CAS: 65277-42-1 Molecular Formula: C26H28Cl2N4O4 Molecular Weight (g/mol): 534.452 MDL Number: MFCD00058579 InChI Key: XMAYWYJOQHXEEK-SIULDFEJSA-N Synonym: ketoconazole PubChem CID: 76973198 IUPAC Name: 2,2,2-trideuterio-1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone SMILES: CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl
| PubChem CID | 76973198 |
|---|---|
| CAS | 65277-42-1 |
| Molecular Weight (g/mol) | 534.452 |
| MDL Number | MFCD00058579 |
| SMILES | CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl |
| Synonym | ketoconazole |
| IUPAC Name | 2,2,2-trideuterio-1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone |
| InChI Key | XMAYWYJOQHXEEK-SIULDFEJSA-N |
| Molecular Formula | C26H28Cl2N4O4 |