Organic compounds
Organic compounds are a class of chemical compounds that contain one or more atoms of carbon covalently bonded to each other and atoms of other elements such as hydrogen, oxygen, nitrogen, sulfur, etc.
Compounds or allotropes of carbon that contain only carbon atoms are classified as inorganic compounds and exhibit novel properties.
This class of chemicals has a wide range of applications and includes graphite, diamond, and the more recently discovered graphene, fullerenes, and other carbon nanotubes. In fact, the majority of elements in the periodic table of elements are inorganic compounds.
Filtered Search Results
Benzyl phenyl ether, 97%
CAS: 946-80-5 Molecular Formula: C13H12O Molecular Weight (g/mol): 184.238 MDL Number: MFCD00020660 InChI Key: BOTNYLSAWDQNEX-UHFFFAOYSA-N Synonym: benzyl phenyl ether,benzyloxy benzene,phenyl benzyl ether,benzene, phenoxymethyl,ether, benzyl phenyl,benzylphenylether,benzyloxy-benzene,benzyloxybenzene,unii-bue863n0l8,.alpha.-phenylanisole PubChem CID: 70352 IUPAC Name: phenoxymethylbenzene SMILES: C1=CC=C(C=C1)COC2=CC=CC=C2
| PubChem CID | 70352 |
|---|---|
| CAS | 946-80-5 |
| Molecular Weight (g/mol) | 184.238 |
| MDL Number | MFCD00020660 |
| SMILES | C1=CC=C(C=C1)COC2=CC=CC=C2 |
| Synonym | benzyl phenyl ether,benzyloxy benzene,phenyl benzyl ether,benzene, phenoxymethyl,ether, benzyl phenyl,benzylphenylether,benzyloxy-benzene,benzyloxybenzene,unii-bue863n0l8,.alpha.-phenylanisole |
| IUPAC Name | phenoxymethylbenzene |
| InChI Key | BOTNYLSAWDQNEX-UHFFFAOYSA-N |
| Molecular Formula | C13H12O |
3-(2-Pyridyl)-5,6-diphenyl-1,2,4-triazine-p,p'-disulfonic acid, disodium salt hydrate, 97+%
CAS: 1264198-47-1 Molecular Formula: C20H12N4Na2O6S2 Molecular Weight (g/mol): 514.44 MDL Number: MFCD00717621 InChI Key: DDIHLFCSEHAOJZ-UHFFFAOYSA-L Synonym: 5,6-diphenyl-3-2-pyridyl-1,2,4-triazine-4,4'-disulfonic acid disodium salt hydrate,disodium ferrozine 2-hydrate,3-2-pyridyl-5,6-bis 4-sulfophenyl-1,2,4-triazine disodium salt hydrate PubChem CID: 91871971 IUPAC Name: disodium;4-[3-pyridin-2-yl-6-(4-sulfonatophenyl)-1,2,4-triazin-5-yl]benzenesulfonate;hydrate SMILES: [Na+].[Na+].[O-]S(=O)(=O)C1=CC=C(C=C1)C1=C(N=C(N=N1)C1=CC=CC=N1)C1=CC=C(C=C1)S([O-])(=O)=O
| PubChem CID | 91871971 |
|---|---|
| CAS | 1264198-47-1 |
| Molecular Weight (g/mol) | 514.44 |
| MDL Number | MFCD00717621 |
| SMILES | [Na+].[Na+].[O-]S(=O)(=O)C1=CC=C(C=C1)C1=C(N=C(N=N1)C1=CC=CC=N1)C1=CC=C(C=C1)S([O-])(=O)=O |
| Synonym | 5,6-diphenyl-3-2-pyridyl-1,2,4-triazine-4,4'-disulfonic acid disodium salt hydrate,disodium ferrozine 2-hydrate,3-2-pyridyl-5,6-bis 4-sulfophenyl-1,2,4-triazine disodium salt hydrate |
| IUPAC Name | disodium;4-[3-pyridin-2-yl-6-(4-sulfonatophenyl)-1,2,4-triazin-5-yl]benzenesulfonate;hydrate |
| InChI Key | DDIHLFCSEHAOJZ-UHFFFAOYSA-L |
| Molecular Formula | C20H12N4Na2O6S2 |
2-Iodobenzaldehyde, 98%
CAS: 26260-02-6 Molecular Formula: C7H5IO Molecular Weight (g/mol): 232.02 MDL Number: MFCD00039570 InChI Key: WWKKTHALZAYYAI-UHFFFAOYSA-N Synonym: benzaldehyde, 2-iodo,o-iodobenzaldehyde,iodobenzaldehyde,benzaldehyde,iodo,2-iodobenzenealdehyde,pubchem3914,acmc-209upi,2-iodobenzaldehyde,ksc203m8l PubChem CID: 643439 IUPAC Name: 2-iodobenzaldehyde SMILES: C1=CC=C(C(=C1)C=O)I
| PubChem CID | 643439 |
|---|---|
| CAS | 26260-02-6 |
| Molecular Weight (g/mol) | 232.02 |
| MDL Number | MFCD00039570 |
| SMILES | C1=CC=C(C(=C1)C=O)I |
| Synonym | benzaldehyde, 2-iodo,o-iodobenzaldehyde,iodobenzaldehyde,benzaldehyde,iodo,2-iodobenzenealdehyde,pubchem3914,acmc-209upi,2-iodobenzaldehyde,ksc203m8l |
| IUPAC Name | 2-iodobenzaldehyde |
| InChI Key | WWKKTHALZAYYAI-UHFFFAOYSA-N |
| Molecular Formula | C7H5IO |
1-Aminopiperidine, 97%
CAS: 2213-43-6 Molecular Formula: C5H12N2 Molecular Weight (g/mol): 100.165 MDL Number: MFCD00006489 InChI Key: LWMPFIOTEAXAGV-UHFFFAOYSA-N Synonym: 1-aminopiperidine,n-aminopiperidine,1-piperidinamine,piperidine, 1-amino,n-piperidylamine,aminopiperidine,piperidinamine,1,1-pentamethylenehydrazine,piperidylamine,piperidine amine PubChem CID: 16658 IUPAC Name: piperidin-1-amine SMILES: C1CCN(CC1)N
| PubChem CID | 16658 |
|---|---|
| CAS | 2213-43-6 |
| Molecular Weight (g/mol) | 100.165 |
| MDL Number | MFCD00006489 |
| SMILES | C1CCN(CC1)N |
| Synonym | 1-aminopiperidine,n-aminopiperidine,1-piperidinamine,piperidine, 1-amino,n-piperidylamine,aminopiperidine,piperidinamine,1,1-pentamethylenehydrazine,piperidylamine,piperidine amine |
| IUPAC Name | piperidin-1-amine |
| InChI Key | LWMPFIOTEAXAGV-UHFFFAOYSA-N |
| Molecular Formula | C5H12N2 |
Chlorhexidine diacetate hydrate, 98%
CAS: 206986-79-0 Molecular Formula: C26H38Cl2N10O4 Molecular Weight (g/mol): 625.56 MDL Number: MFCD00150042 InChI Key: WDRFFJWBUDTUCA-UHFFFAOYSA-N Synonym: chlorhexidine acetate hydrate 1:2:x,chlorhexidine diacetate salt monohydrate,chlorhexidine diacetate monohydrate,1,1 inverted exclamation marka-hexamethylenebis 5-4-chlorophenyl biguanide diacetate salt,4-chlorophenyl 6-4-chlorophenyl amino iminomethyl amino iminomethy l amino hexyl amino iminomethyl amino iminomethyl amine, acetic acid, acetic a cid, oxamethane PubChem CID: 43834499 SMILES: CC(O)=O.CC(O)=O.NC(NC1=CC=C(Cl)C=C1)=NC(N)=NCCCCCCN=C(N)N=C(N)NC1=CC=C(Cl)C=C1
| PubChem CID | 43834499 |
|---|---|
| CAS | 206986-79-0 |
| Molecular Weight (g/mol) | 625.56 |
| MDL Number | MFCD00150042 |
| SMILES | CC(O)=O.CC(O)=O.NC(NC1=CC=C(Cl)C=C1)=NC(N)=NCCCCCCN=C(N)N=C(N)NC1=CC=C(Cl)C=C1 |
| Synonym | chlorhexidine acetate hydrate 1:2:x,chlorhexidine diacetate salt monohydrate,chlorhexidine diacetate monohydrate,1,1 inverted exclamation marka-hexamethylenebis 5-4-chlorophenyl biguanide diacetate salt,4-chlorophenyl 6-4-chlorophenyl amino iminomethyl amino iminomethy l amino hexyl amino iminomethyl amino iminomethyl amine, acetic acid, acetic a cid, oxamethane |
| InChI Key | WDRFFJWBUDTUCA-UHFFFAOYSA-N |
| Molecular Formula | C26H38Cl2N10O4 |
Ibuprofen, 99%, Thermo Scientific Chemicals
CAS: 15687-27-1 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.29 MDL Number: MFCD00010393 InChI Key: HEFNNWSXXWATRW-UHFFFAOYNA-N PubChem CID: 3672 ChEBI: CHEBI:5855 IUPAC Name: 2-[4-(2-methylpropyl)phenyl]propanoic acid SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(O)=O
| PubChem CID | 3672 |
|---|---|
| CAS | 15687-27-1 |
| Molecular Weight (g/mol) | 206.29 |
| ChEBI | CHEBI:5855 |
| MDL Number | MFCD00010393 |
| SMILES | CC(C)CC1=CC=C(C=C1)C(C)C(O)=O |
| IUPAC Name | 2-[4-(2-methylpropyl)phenyl]propanoic acid |
| InChI Key | HEFNNWSXXWATRW-UHFFFAOYNA-N |
| Molecular Formula | C13H18O2 |
O-(7-Aza-1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate, 99%
CAS: 148893-10-1 Molecular Formula: C10H15F6N6OP Molecular Weight (g/mol): 380.24 MDL Number: MFCD00274639 InChI Key: JNWBBCNCSMBKNE-UHFFFAOYSA-N Synonym: hatu,2-7-aza-1h-benzotriazole-1-yl-1,1,3,3-tetramethyluronium hexafluorophosphate,o-7-azabenzotriazol-1-yl-n,n,n',n'-tetramethyluronium hexafluorophosphate,o-7-azabenzotriazol-1-yl-n,n,n,n-tetramethyl uronium hexafluorophosphate,2-3h-1,2,3 triazolo 4,5-b pyridin-3-yl-1,1,3,3-tetramethyluronium hexafluorophosphate v,dimethylamino triazolo 4,5-b pyridin-3-yloxy methylene-dimethyl-ammonium hexafluorophosphate,2-7-aza-1h-benzotriazole-1-yl-1,1,3,3-tetramethyl uronium hexafluorophosphate,2-3h-1,2,3 triazolo 4,5-b pyridin-3-yl-1,1,3,3-tetramethylisouronium hexafluorophosphate v,n-dimethylamino 3h-1,2,3 triazolo 4,5-b pyridin-3-yloxy methylene-n-methylmethanaminium hexafluorophosphate,n-dimethylamino-1h-1,2,3-triazolo-4,5-b pyridin-1-ylmethylene-n-methylmethanaminium hexafluorophosphate n-oxide PubChem CID: 9886157 IUPAC Name: [dimethylamino(triazolo[4,5-b]pyridin-3-yloxy)methylidene]-dimethylazanium;hexafluorophosphate SMILES: F[P-](F)(F)(F)(F)F.CN(C)C(ON1N=NC2=CC=CN=C12)=[N+](C)C
| PubChem CID | 9886157 |
|---|---|
| CAS | 148893-10-1 |
| Molecular Weight (g/mol) | 380.24 |
| MDL Number | MFCD00274639 |
| SMILES | F[P-](F)(F)(F)(F)F.CN(C)C(ON1N=NC2=CC=CN=C12)=[N+](C)C |
| Synonym | hatu,2-7-aza-1h-benzotriazole-1-yl-1,1,3,3-tetramethyluronium hexafluorophosphate,o-7-azabenzotriazol-1-yl-n,n,n',n'-tetramethyluronium hexafluorophosphate,o-7-azabenzotriazol-1-yl-n,n,n,n-tetramethyl uronium hexafluorophosphate,2-3h-1,2,3 triazolo 4,5-b pyridin-3-yl-1,1,3,3-tetramethyluronium hexafluorophosphate v,dimethylamino triazolo 4,5-b pyridin-3-yloxy methylene-dimethyl-ammonium hexafluorophosphate,2-7-aza-1h-benzotriazole-1-yl-1,1,3,3-tetramethyl uronium hexafluorophosphate,2-3h-1,2,3 triazolo 4,5-b pyridin-3-yl-1,1,3,3-tetramethylisouronium hexafluorophosphate v,n-dimethylamino 3h-1,2,3 triazolo 4,5-b pyridin-3-yloxy methylene-n-methylmethanaminium hexafluorophosphate,n-dimethylamino-1h-1,2,3-triazolo-4,5-b pyridin-1-ylmethylene-n-methylmethanaminium hexafluorophosphate n-oxide |
| IUPAC Name | [dimethylamino(triazolo[4,5-b]pyridin-3-yloxy)methylidene]-dimethylazanium;hexafluorophosphate |
| InChI Key | JNWBBCNCSMBKNE-UHFFFAOYSA-N |
| Molecular Formula | C10H15F6N6OP |
1-Ethylcyclohexanol, 97%
CAS: 1940-18-7 Molecular Formula: C8H16O Molecular Weight (g/mol): 128.22 MDL Number: MFCD00021402 InChI Key: BUCJHJXFXUZJHL-UHFFFAOYSA-N Synonym: 1-ethylcyclohexanol,cyclohexanol, 1-ethyl,unii-1ves5dbc5c,1-aethyl-cyclohexanol-1,1-ethyl-1-cyclohexanol,1ves5dbc5c,1-aethyl-cyclohexanol-1 german,ethylcyclohexanol,cyclohexanol, ethyl,1-ethyl-cyclohexan-1-ol PubChem CID: 16021 IUPAC Name: 1-ethylcyclohexan-1-ol SMILES: CCC1(O)CCCCC1
| PubChem CID | 16021 |
|---|---|
| CAS | 1940-18-7 |
| Molecular Weight (g/mol) | 128.22 |
| MDL Number | MFCD00021402 |
| SMILES | CCC1(O)CCCCC1 |
| Synonym | 1-ethylcyclohexanol,cyclohexanol, 1-ethyl,unii-1ves5dbc5c,1-aethyl-cyclohexanol-1,1-ethyl-1-cyclohexanol,1ves5dbc5c,1-aethyl-cyclohexanol-1 german,ethylcyclohexanol,cyclohexanol, ethyl,1-ethyl-cyclohexan-1-ol |
| IUPAC Name | 1-ethylcyclohexan-1-ol |
| InChI Key | BUCJHJXFXUZJHL-UHFFFAOYSA-N |
| Molecular Formula | C8H16O |
1-Chlorobutane 99.0+%, TCI America™
CAS: 109-69-3 Molecular Formula: C4H9Cl Molecular Weight (g/mol): 92.57 MDL Number: MFCD00001009 InChI Key: VFWCMGCRMGJXDK-UHFFFAOYSA-N Synonym: butyl chloride,n-butyl chloride,butane, 1-chloro,chlorure de butyle,nbc wormer,n-propylcarbinyl chloride,sure shot,butane, chloro,chlorobutane,n-chlorobutane PubChem CID: 8005 IUPAC Name: 1-chlorobutane SMILES: CCCCCl
| PubChem CID | 8005 |
|---|---|
| CAS | 109-69-3 |
| Molecular Weight (g/mol) | 92.57 |
| MDL Number | MFCD00001009 |
| SMILES | CCCCCl |
| Synonym | butyl chloride,n-butyl chloride,butane, 1-chloro,chlorure de butyle,nbc wormer,n-propylcarbinyl chloride,sure shot,butane, chloro,chlorobutane,n-chlorobutane |
| IUPAC Name | 1-chlorobutane |
| InChI Key | VFWCMGCRMGJXDK-UHFFFAOYSA-N |
| Molecular Formula | C4H9Cl |
(R)-(-)-Deprenyl hydrochloride
CAS: 14611-52-0 Molecular Formula: C13H18ClN Molecular Weight (g/mol): 223.74 MDL Number: MFCD00069299 InChI Key: IYETZZCWLLUHIJ-UTONKHPSSA-N Synonym: selegiline hydrochloride,eldepryl,zelapar,selegiline hcl,l-deprenyl hydrochloride,jumex hydrochloride,--deprenyl hydrochloride,eldepryl hydrochloride,r-n-methyl-n-1-phenylpropan-2-yl prop-2-yn-1-amine hydrochloride,zydis selegiline PubChem CID: 26758 ChEBI: CHEBI:9087 IUPAC Name: hydrogen methyl[(2R)-1-phenylpropan-2-yl](prop-2-yn-1-yl)amine chloride SMILES: [H+].[Cl-].C[C@H](CC1=CC=CC=C1)N(C)CC#C
| PubChem CID | 26758 |
|---|---|
| CAS | 14611-52-0 |
| Molecular Weight (g/mol) | 223.74 |
| ChEBI | CHEBI:9087 |
| MDL Number | MFCD00069299 |
| SMILES | [H+].[Cl-].C[C@H](CC1=CC=CC=C1)N(C)CC#C |
| Synonym | selegiline hydrochloride,eldepryl,zelapar,selegiline hcl,l-deprenyl hydrochloride,jumex hydrochloride,--deprenyl hydrochloride,eldepryl hydrochloride,r-n-methyl-n-1-phenylpropan-2-yl prop-2-yn-1-amine hydrochloride,zydis selegiline |
| IUPAC Name | hydrogen methyl[(2R)-1-phenylpropan-2-yl](prop-2-yn-1-yl)amine chloride |
| InChI Key | IYETZZCWLLUHIJ-UTONKHPSSA-N |
| Molecular Formula | C13H18ClN |
Cyclopentane, 95+%, pure
CAS: 287-92-3 Molecular Formula: C5H10 Molecular Weight (g/mol): 70.15 MDL Number: MFCD00001356 InChI Key: RGSFGYAAUTVSQA-UHFFFAOYSA-N Synonym: pentamethylene,ciclopentano,cyclopentan,zyklopentan,unii-t86pb90rnu,hsdb 62,t86pb90rnu,cyclopentanes,cyclopentyl group,hydrocarbons, cyclic c5 and c6 PubChem CID: 9253 ChEBI: CHEBI:23492 IUPAC Name: cyclopentane SMILES: C1CCCC1
| PubChem CID | 9253 |
|---|---|
| CAS | 287-92-3 |
| Molecular Weight (g/mol) | 70.15 |
| ChEBI | CHEBI:23492 |
| MDL Number | MFCD00001356 |
| SMILES | C1CCCC1 |
| Synonym | pentamethylene,ciclopentano,cyclopentan,zyklopentan,unii-t86pb90rnu,hsdb 62,t86pb90rnu,cyclopentanes,cyclopentyl group,hydrocarbons, cyclic c5 and c6 |
| IUPAC Name | cyclopentane |
| InChI Key | RGSFGYAAUTVSQA-UHFFFAOYSA-N |
| Molecular Formula | C5H10 |
Benzoin 98.0+%, TCI America™
CAS: 119-53-9 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.25 MDL Number: MFCD00004496 InChI Key: ISAOCJYIOMOJEB-UHFFFAOYNA-N Synonym: benzoin,2-hydroxy-2-phenylacetophenone,benzoylphenylcarbinol,benzoin tincture,+--benzoin,ethanone, 2-hydroxy-1,2-diphenyl,bitter almond oil camphor,phenylbenzoyl carbinol,2-hydroxy-1,2-diphenylethan-1-one,alpha-hydroxybenzyl phenyl ketone PubChem CID: 8400 ChEBI: CHEBI:17682 IUPAC Name: 2-hydroxy-1,2-diphenylethan-1-one SMILES: OC(C(=O)C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 8400 |
|---|---|
| CAS | 119-53-9 |
| Molecular Weight (g/mol) | 212.25 |
| ChEBI | CHEBI:17682 |
| MDL Number | MFCD00004496 |
| SMILES | OC(C(=O)C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | benzoin,2-hydroxy-2-phenylacetophenone,benzoylphenylcarbinol,benzoin tincture,+--benzoin,ethanone, 2-hydroxy-1,2-diphenyl,bitter almond oil camphor,phenylbenzoyl carbinol,2-hydroxy-1,2-diphenylethan-1-one,alpha-hydroxybenzyl phenyl ketone |
| IUPAC Name | 2-hydroxy-1,2-diphenylethan-1-one |
| InChI Key | ISAOCJYIOMOJEB-UHFFFAOYNA-N |
| Molecular Formula | C14H12O2 |
3,3-Dimethyl-1-butene, 95%
CAS: 558-37-2 Molecular Formula: C6H12 Molecular Weight (g/mol): 84.16 MDL Number: MFCD00008853 InChI Key: PKXHXOTZMFCXSH-UHFFFAOYSA-N Synonym: 3,3-dimethyl-1-butene,neohexene,1-butene, 3,3-dimethyl,tert-butylethylene,tert-butylethene,tert-hexene,trimethylvinylmethane,3,3-dimethylbutene,2,2-dimethyl-3-butene,unii-01zb73d2kk PubChem CID: 11210 IUPAC Name: 3,3-dimethylbut-1-ene SMILES: CC(C)(C)C=C
| PubChem CID | 11210 |
|---|---|
| CAS | 558-37-2 |
| Molecular Weight (g/mol) | 84.16 |
| MDL Number | MFCD00008853 |
| SMILES | CC(C)(C)C=C |
| Synonym | 3,3-dimethyl-1-butene,neohexene,1-butene, 3,3-dimethyl,tert-butylethylene,tert-butylethene,tert-hexene,trimethylvinylmethane,3,3-dimethylbutene,2,2-dimethyl-3-butene,unii-01zb73d2kk |
| IUPAC Name | 3,3-dimethylbut-1-ene |
| InChI Key | PKXHXOTZMFCXSH-UHFFFAOYSA-N |
| Molecular Formula | C6H12 |
4,4'-Dimethoxytrityl chloride, 97%
CAS: 40615-36-9 Molecular Formula: C21H19ClO2 Molecular Weight (g/mol): 338.83 MDL Number: MFCD00008409 InChI Key: JBWYRBLDOOOJEU-UHFFFAOYSA-N Synonym: 4,4'-dimethoxytrityl chloride,dmt-cl,4,4'-dimethoxytritylchloride,4,4'-chloro phenyl methylene bis methoxybenzene,4,4'-dimethoxytriphenylmethyl chloride,1,1'-chlorophenylmethylene bis 4-methoxybenzene,benzene, 1,1'-chlorophenylmethylene bis 4-methoxy,chloro-4,4'-dimethoxytriphenylmethane,1-chloro 4-methoxyphenyl phenylmethyl-4-methoxybenzene,4,4'-dimethoxytritylchloride dmt-cl PubChem CID: 96831 IUPAC Name: 1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene SMILES: COC1=CC=C(C=C1)C(Cl)(C1=CC=CC=C1)C1=CC=C(OC)C=C1
| PubChem CID | 96831 |
|---|---|
| CAS | 40615-36-9 |
| Molecular Weight (g/mol) | 338.83 |
| MDL Number | MFCD00008409 |
| SMILES | COC1=CC=C(C=C1)C(Cl)(C1=CC=CC=C1)C1=CC=C(OC)C=C1 |
| Synonym | 4,4'-dimethoxytrityl chloride,dmt-cl,4,4'-dimethoxytritylchloride,4,4'-chloro phenyl methylene bis methoxybenzene,4,4'-dimethoxytriphenylmethyl chloride,1,1'-chlorophenylmethylene bis 4-methoxybenzene,benzene, 1,1'-chlorophenylmethylene bis 4-methoxy,chloro-4,4'-dimethoxytriphenylmethane,1-chloro 4-methoxyphenyl phenylmethyl-4-methoxybenzene,4,4'-dimethoxytritylchloride dmt-cl |
| IUPAC Name | 1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene |
| InChI Key | JBWYRBLDOOOJEU-UHFFFAOYSA-N |
| Molecular Formula | C21H19ClO2 |
Ketoconazole, 2mg/mL in methanol, sterile-filtered, Thermo Scientific™
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 |