Organic acids and derivatives
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1-Naphthyl phosphate disodium salt hydrate, 99%
CAS: 207569-06-0 Molecular Formula: C10H7Na2O4P Molecular Weight (g/mol): 268.12 MDL Number: MFCD00041007 InChI Key: QYURIFWAOPAPAJ-UHFFFAOYSA-L Synonym: 1-naphthyl phosphate disodium salt hydrate,sodium naphthalen-1-yl phosphate hydrate,disodium 1-naphthyl phosphate hydrate,disodium hydrate naphthalen-1-yl phosphate,1-naphthyl phosphate sodium salt monohydrate,c10h7o4p.2na.h2o,1-naphthyl?phosphate?disodium?salt?hydrate,1-naphthyl phosphate disodium salt monohydrate,dihydrogen naphthyl phosphate, oxamethane, sodium salt, sodium salt PubChem CID: 24212014 IUPAC Name: disodium;naphthalen-1-yl phosphate;hydrate SMILES: [Na+].[Na+].[O-]P([O-])(=O)OC1=C2C=CC=CC2=CC=C1
| PubChem CID | 24212014 |
|---|---|
| CAS | 207569-06-0 |
| Molecular Weight (g/mol) | 268.12 |
| MDL Number | MFCD00041007 |
| SMILES | [Na+].[Na+].[O-]P([O-])(=O)OC1=C2C=CC=CC2=CC=C1 |
| Synonym | 1-naphthyl phosphate disodium salt hydrate,sodium naphthalen-1-yl phosphate hydrate,disodium 1-naphthyl phosphate hydrate,disodium hydrate naphthalen-1-yl phosphate,1-naphthyl phosphate sodium salt monohydrate,c10h7o4p.2na.h2o,1-naphthyl?phosphate?disodium?salt?hydrate,1-naphthyl phosphate disodium salt monohydrate,dihydrogen naphthyl phosphate, oxamethane, sodium salt, sodium salt |
| IUPAC Name | disodium;naphthalen-1-yl phosphate;hydrate |
| InChI Key | QYURIFWAOPAPAJ-UHFFFAOYSA-L |
| Molecular Formula | C10H7Na2O4P |
p-Nitrophenyl Phosphate, Disodium Salt Hexahydrate, MP Biomedicals
CAS: 4264-83-9 Molecular Formula: C6H4NNa2O6P Molecular Weight (g/mol): 263.05 MDL Number: MFCD00007319 InChI Key: VIYFPAMJCJLZKD-UHFFFAOYSA-L Synonym: pnpp,disodium 4-nitrophenylphosphate,sodium 4-nitrophenyl phosphate,disodium 4-nitrophenyl phosphate,phosphoric acid, mono 4-nitrophenyl ester, disodium salt,disodium p-nitrophenyl phosphate,phosphoric acid, mono 4-nitrophenyl ester, sodium salt 1:2,p-nitrophenyl phosphate,pnpp liquid substrate system PubChem CID: 77949 IUPAC Name: disodium 4-nitrophenyl phosphate SMILES: [Na+].[Na+].[O-][N+](=O)C1=CC=C(OP([O-])([O-])=O)C=C1
| PubChem CID | 77949 |
|---|---|
| CAS | 4264-83-9 |
| Molecular Weight (g/mol) | 263.05 |
| MDL Number | MFCD00007319 |
| SMILES | [Na+].[Na+].[O-][N+](=O)C1=CC=C(OP([O-])([O-])=O)C=C1 |
| Synonym | pnpp,disodium 4-nitrophenylphosphate,sodium 4-nitrophenyl phosphate,disodium 4-nitrophenyl phosphate,phosphoric acid, mono 4-nitrophenyl ester, disodium salt,disodium p-nitrophenyl phosphate,phosphoric acid, mono 4-nitrophenyl ester, sodium salt 1:2,p-nitrophenyl phosphate,pnpp liquid substrate system |
| IUPAC Name | disodium 4-nitrophenyl phosphate |
| InChI Key | VIYFPAMJCJLZKD-UHFFFAOYSA-L |
| Molecular Formula | C6H4NNa2O6P |
1,3-Dimethylimidazolium dimethyl phosphate, 98%
CAS: 654058-04-5 Molecular Formula: C7H15N2O4P Molecular Weight (g/mol): 222.181 MDL Number: MFCD08275369 InChI Key: GSGLHYXFTXGIAQ-UHFFFAOYSA-M Synonym: 1,3-dimethylimidazolium dimethyl phosphate,acmc-1b6nn,1,3-dimethylimidazoliumdimethylphosphate,dsstox_cid_27946,dsstox_rid_82698,dsstox_gsid_47970,1-methyl-3-methylimidazolium dimethylphosphate,1,3-dimethyl-imidazolium dimethylphosphate,1,3-dimethylimidazolium dimethyl phosphate hplc PubChem CID: 16069365 IUPAC Name: 1,3-dimethylimidazol-1-ium;dimethyl phosphate SMILES: CN1C=C[N+](=C1)C.COP(=O)([O-])OC
| PubChem CID | 16069365 |
|---|---|
| CAS | 654058-04-5 |
| Molecular Weight (g/mol) | 222.181 |
| MDL Number | MFCD08275369 |
| SMILES | CN1C=C[N+](=C1)C.COP(=O)([O-])OC |
| Synonym | 1,3-dimethylimidazolium dimethyl phosphate,acmc-1b6nn,1,3-dimethylimidazoliumdimethylphosphate,dsstox_cid_27946,dsstox_rid_82698,dsstox_gsid_47970,1-methyl-3-methylimidazolium dimethylphosphate,1,3-dimethyl-imidazolium dimethylphosphate,1,3-dimethylimidazolium dimethyl phosphate hplc |
| IUPAC Name | 1,3-dimethylimidazol-1-ium;dimethyl phosphate |
| InChI Key | GSGLHYXFTXGIAQ-UHFFFAOYSA-M |
| Molecular Formula | C7H15N2O4P |
Sodium dichloroacetate, 96%
CAS: 2156-56-1 Molecular Formula: C2HCl2NaO2 Molecular Weight (g/mol): 150.92 MDL Number: MFCD00070489 InChI Key: LUPNKHXLFSSUGS-UHFFFAOYSA-M Synonym: sodium dichloroacetate,sodium 2,2-dichloroacetate,dichloroacetic acid sodium salt,acetic acid, dichloro-, sodium salt,ceresine,dichloroacetate sodium,dichloroctan sodny czech,sodium dichloroacetate usan,ccris 7697,dichloroacetic acid, sodium salt PubChem CID: 517326 IUPAC Name: sodium;2,2-dichloroacetate SMILES: [Na+].[O-]C(=O)C(Cl)Cl
| PubChem CID | 517326 |
|---|---|
| CAS | 2156-56-1 |
| Molecular Weight (g/mol) | 150.92 |
| MDL Number | MFCD00070489 |
| SMILES | [Na+].[O-]C(=O)C(Cl)Cl |
| Synonym | sodium dichloroacetate,sodium 2,2-dichloroacetate,dichloroacetic acid sodium salt,acetic acid, dichloro-, sodium salt,ceresine,dichloroacetate sodium,dichloroctan sodny czech,sodium dichloroacetate usan,ccris 7697,dichloroacetic acid, sodium salt |
| IUPAC Name | sodium;2,2-dichloroacetate |
| InChI Key | LUPNKHXLFSSUGS-UHFFFAOYSA-M |
| Molecular Formula | C2HCl2NaO2 |
Ethyl 2-fluoroisobutyrate, 97%, Thermo Scientific Chemicals
CAS: 55816-69-8 Molecular Formula: C6H11FO2 Molecular Weight (g/mol): 134.15 MDL Number: MFCD08062432 InChI Key: CJRQQJKWNULSFQ-UHFFFAOYSA-N Synonym: ethyl 2-fluoroisobutyrate,propanoic acid, 2-fluoro-2-methyl-, ethyl ester,ethyl 2-fluoro-isobutyrate,ethyl 2-fluoro-2-methylpropionate,2-fluoro-2-methylpropionic acid ethyl ester PubChem CID: 10898763 IUPAC Name: ethyl 2-fluoro-2-methylpropanoate SMILES: CCOC(=O)C(C)(C)F
| PubChem CID | 10898763 |
|---|---|
| CAS | 55816-69-8 |
| Molecular Weight (g/mol) | 134.15 |
| MDL Number | MFCD08062432 |
| SMILES | CCOC(=O)C(C)(C)F |
| Synonym | ethyl 2-fluoroisobutyrate,propanoic acid, 2-fluoro-2-methyl-, ethyl ester,ethyl 2-fluoro-isobutyrate,ethyl 2-fluoro-2-methylpropionate,2-fluoro-2-methylpropionic acid ethyl ester |
| IUPAC Name | ethyl 2-fluoro-2-methylpropanoate |
| InChI Key | CJRQQJKWNULSFQ-UHFFFAOYSA-N |
| Molecular Formula | C6H11FO2 |
alpha-Fluorophenylacetic acid, 97%
CAS: 1578-63-8 Molecular Formula: C8H7FO2 Molecular Weight (g/mol): 154.14 MDL Number: MFCD00004221 InChI Key: ATPPNMLQNZHDOG-UHFFFAOYSA-N Synonym: alpha-fluorophenylacetic acid,fluorophenylacetic acid,fluoro phenyl acetic acid,.alpha.-fluorophenylacetic acid,benzeneacetic acid, .alpha.-fluoro,fluorophenyl acetic acid,a-fluorophenylacetic acid,a-fluorobenzeneacetic acid,a-fluorophenyl acetic acid,acmc-1bt6i PubChem CID: 102649 IUPAC Name: 2-fluoro-2-phenylacetic acid SMILES: C1=CC=C(C=C1)C(C(=O)O)F
| PubChem CID | 102649 |
|---|---|
| CAS | 1578-63-8 |
| Molecular Weight (g/mol) | 154.14 |
| MDL Number | MFCD00004221 |
| SMILES | C1=CC=C(C=C1)C(C(=O)O)F |
| Synonym | alpha-fluorophenylacetic acid,fluorophenylacetic acid,fluoro phenyl acetic acid,.alpha.-fluorophenylacetic acid,benzeneacetic acid, .alpha.-fluoro,fluorophenyl acetic acid,a-fluorophenylacetic acid,a-fluorobenzeneacetic acid,a-fluorophenyl acetic acid,acmc-1bt6i |
| IUPAC Name | 2-fluoro-2-phenylacetic acid |
| InChI Key | ATPPNMLQNZHDOG-UHFFFAOYSA-N |
| Molecular Formula | C8H7FO2 |
Benzyl bromoacetate, 97%
CAS: 5437-45-6 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.073 MDL Number: MFCD00000190 InChI Key: JHVLLYQQQYIWKX-UHFFFAOYSA-N Synonym: benzyl bromoacetate,bromoacetic acid benzyl ester,acetic acid, bromo-, phenylmethyl ester,merbac 35,caswell no. 082a,acetic acid, bromo-, benzyl ester,unii-64u2rk18d3,phenylmethyl 2-bromoacetate,epa pesticide chemical code 008710,benzyl bromacetate PubChem CID: 62576 IUPAC Name: benzyl 2-bromoacetate SMILES: C1=CC=C(C=C1)COC(=O)CBr
| PubChem CID | 62576 |
|---|---|
| CAS | 5437-45-6 |
| Molecular Weight (g/mol) | 229.073 |
| MDL Number | MFCD00000190 |
| SMILES | C1=CC=C(C=C1)COC(=O)CBr |
| Synonym | benzyl bromoacetate,bromoacetic acid benzyl ester,acetic acid, bromo-, phenylmethyl ester,merbac 35,caswell no. 082a,acetic acid, bromo-, benzyl ester,unii-64u2rk18d3,phenylmethyl 2-bromoacetate,epa pesticide chemical code 008710,benzyl bromacetate |
| IUPAC Name | benzyl 2-bromoacetate |
| InChI Key | JHVLLYQQQYIWKX-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO2 |
2-Bromoacrylic acid, 95%
CAS: 10443-65-9 Molecular Formula: C3H3BrO2 Molecular Weight (g/mol): 150.96 MDL Number: MFCD00014333 InChI Key: HMENQNSSJFLQOP-UHFFFAOYSA-N Synonym: 2-bromoacrylic acid,bromoacrylic acid,ccris 5478,.alpha.-bromoacrylic acid,2-bromo-acrylic acid,alpha-bromo acrylic acid,2-propenoic acid, bromo,acmc-1c0k4,2-propenoic acid, 2-bromo PubChem CID: 82633 IUPAC Name: 2-bromoprop-2-enoic acid SMILES: OC(=O)C(Br)=C
| PubChem CID | 82633 |
|---|---|
| CAS | 10443-65-9 |
| Molecular Weight (g/mol) | 150.96 |
| MDL Number | MFCD00014333 |
| SMILES | OC(=O)C(Br)=C |
| Synonym | 2-bromoacrylic acid,bromoacrylic acid,ccris 5478,.alpha.-bromoacrylic acid,2-bromo-acrylic acid,alpha-bromo acrylic acid,2-propenoic acid, bromo,acmc-1c0k4,2-propenoic acid, 2-bromo |
| IUPAC Name | 2-bromoprop-2-enoic acid |
| InChI Key | HMENQNSSJFLQOP-UHFFFAOYSA-N |
| Molecular Formula | C3H3BrO2 |
Dimethyl bromomalonate, 90%, tech.
CAS: 868-26-8 Molecular Formula: C5H7BrO4 Molecular Weight (g/mol): 211.02 MDL Number: MFCD00025865 InChI Key: NEMOJKROKMMQBQ-UHFFFAOYSA-N Synonym: dimethyl bromomalonate,dimethyl 2-bromomalonate,dimethylbromomalonate,propanedioic acid, bromo-, dimethyl ester,2-bromo dimethyl malonate,1,3-dimethyl 2-bromopropanedioate,dimethylbromomalo-nate,acmc-209qbk,dimethyl-2-bromomalonate,dimethyl 2-bromomalonate # PubChem CID: 70087 IUPAC Name: dimethyl 2-bromopropanedioate SMILES: COC(=O)C(C(=O)OC)Br
| PubChem CID | 70087 |
|---|---|
| CAS | 868-26-8 |
| Molecular Weight (g/mol) | 211.02 |
| MDL Number | MFCD00025865 |
| SMILES | COC(=O)C(C(=O)OC)Br |
| Synonym | dimethyl bromomalonate,dimethyl 2-bromomalonate,dimethylbromomalonate,propanedioic acid, bromo-, dimethyl ester,2-bromo dimethyl malonate,1,3-dimethyl 2-bromopropanedioate,dimethylbromomalo-nate,acmc-209qbk,dimethyl-2-bromomalonate,dimethyl 2-bromomalonate # |
| IUPAC Name | dimethyl 2-bromopropanedioate |
| InChI Key | NEMOJKROKMMQBQ-UHFFFAOYSA-N |
| Molecular Formula | C5H7BrO4 |
2-Chloro-2-ethoxyacetic acid ethyl ester, 90%, remainder mainly ethyl diethoxyacetat, Thermo Scientific Chemicals
CAS: 34006-60-5 Molecular Formula: C6H11ClO3 Molecular Weight (g/mol): 166.60 MDL Number: MFCD00043953 InChI Key: WDCHMODANTVRTF-UHFFFAOYNA-N Synonym: 2-chloro-2-ethoxyacetic acid ethyl ester,ethyl 2-chloro-2-ethoxy-acetate,ethyl2-chloro-2-ethoxyacetate,ethyl chloro ethoxy acetate,chloro ethoxy acetic acid ethyl ester,ethyl alpha-chloro-alpha-ethoxyacetate,ethyl alpha-chloro-alpha-ethoxy-acetate,2-chloro-2-ethoxy-acetic acid ethyl ester,acetic acid,2-chloro-2-ethoxy-, ethyl ester PubChem CID: 2724873 IUPAC Name: ethyl 2-(1-chloroethoxy)acetate SMILES: CCOC(=O)COC(C)Cl
| PubChem CID | 2724873 |
|---|---|
| CAS | 34006-60-5 |
| Molecular Weight (g/mol) | 166.60 |
| MDL Number | MFCD00043953 |
| SMILES | CCOC(=O)COC(C)Cl |
| Synonym | 2-chloro-2-ethoxyacetic acid ethyl ester,ethyl 2-chloro-2-ethoxy-acetate,ethyl2-chloro-2-ethoxyacetate,ethyl chloro ethoxy acetate,chloro ethoxy acetic acid ethyl ester,ethyl alpha-chloro-alpha-ethoxyacetate,ethyl alpha-chloro-alpha-ethoxy-acetate,2-chloro-2-ethoxy-acetic acid ethyl ester,acetic acid,2-chloro-2-ethoxy-, ethyl ester |
| IUPAC Name | ethyl 2-(1-chloroethoxy)acetate |
| InChI Key | WDCHMODANTVRTF-UHFFFAOYNA-N |
| Molecular Formula | C6H11ClO3 |
Dimethyl fluoromalonate, 97%
CAS: 344-14-9 Molecular Formula: C5H7FO4 Molecular Weight (g/mol): 150.105 MDL Number: MFCD00054680 InChI Key: ZVXHZSXYHFBIEW-UHFFFAOYSA-N PubChem CID: 2737111 IUPAC Name: dimethyl 2-fluoropropanedioate SMILES: COC(=O)C(C(=O)OC)F
| PubChem CID | 2737111 |
|---|---|
| CAS | 344-14-9 |
| Molecular Weight (g/mol) | 150.105 |
| MDL Number | MFCD00054680 |
| SMILES | COC(=O)C(C(=O)OC)F |
| IUPAC Name | dimethyl 2-fluoropropanedioate |
| InChI Key | ZVXHZSXYHFBIEW-UHFFFAOYSA-N |
| Molecular Formula | C5H7FO4 |
1,1'-Binaphthyl-2,2'-diyl hydrogen phosphate, 99%
CAS: 35193-63-6 Molecular Formula: C20H13O4P Molecular Weight (g/mol): 348.294 MDL Number: MFCD00010045 InChI Key: JEHUZVBIUCAMRZ-UHFFFAOYSA-N Synonym: 1,1'-binaphthyl-2,2'-diyl hydrogenphosphate,s-+-1,1'-binaphthyl-2,2'-diyl hydrogenphosphate,r---1,1'-binaphthyl-2,2'-diyl hydrogenphosphate,1,1'-binaphthyl-2,2'-diyl hydrogen phosphate,r---bnp acid,11bs-4-hydroxydinaphtho 2,1-d:1',2'-f 1,3,2 dioxaphosphepine 4-oxide,r---1,1'-binaphthyl-2,2'-diyl hydrogen phosphate,r-4-hydroxydinaphtho 2,1-d:1',2'-f 1,3,2 dioxaphosphepine 4-oxide,s-+-bnp acid,4-hydroxydinaphtho 2,1-d:1',2'-f 1,3,2 dioxaphosphepine 4-oxide PubChem CID: 99589 SMILES: C1=CC=C2C(=C1)C=CC3=C2C4=C(C=CC5=CC=CC=C54)OP(=O)(O3)O
| PubChem CID | 99589 |
|---|---|
| CAS | 35193-63-6 |
| Molecular Weight (g/mol) | 348.294 |
| MDL Number | MFCD00010045 |
| SMILES | C1=CC=C2C(=C1)C=CC3=C2C4=C(C=CC5=CC=CC=C54)OP(=O)(O3)O |
| Synonym | 1,1'-binaphthyl-2,2'-diyl hydrogenphosphate,s-+-1,1'-binaphthyl-2,2'-diyl hydrogenphosphate,r---1,1'-binaphthyl-2,2'-diyl hydrogenphosphate,1,1'-binaphthyl-2,2'-diyl hydrogen phosphate,r---bnp acid,11bs-4-hydroxydinaphtho 2,1-d:1',2'-f 1,3,2 dioxaphosphepine 4-oxide,r---1,1'-binaphthyl-2,2'-diyl hydrogen phosphate,r-4-hydroxydinaphtho 2,1-d:1',2'-f 1,3,2 dioxaphosphepine 4-oxide,s-+-bnp acid,4-hydroxydinaphtho 2,1-d:1',2'-f 1,3,2 dioxaphosphepine 4-oxide |
| InChI Key | JEHUZVBIUCAMRZ-UHFFFAOYSA-N |
| Molecular Formula | C20H13O4P |
Thermo Scientific Chemicals 2'-Deoxycytidine-5'-monophosphate, 99%
CAS: 1032-65-1 Molecular Formula: C9H14N3O7P Molecular Weight (g/mol): 307.199 MDL Number: MFCD00006546 InChI Key: NCMVOABPESMRCP-SHYZEUOFSA-N Synonym: dcmp,deoxycytidylic acid,deoxycytidine monophosphate,2'-deoxycytidine-5'-monophosphate,2'-deoxycytidine-5'-monophosphoric acid,5'-cytidylic acid, 2'-deoxy,2'-deoxycytidine 5'-monophosphate,deoxycytidylate,polydeoxycytidylic acid,deoxycytidine-5'-monophosphoric acid PubChem CID: 13945 ChEBI: CHEBI:15918 IUPAC Name: [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate SMILES: C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)O)O
| PubChem CID | 13945 |
|---|---|
| CAS | 1032-65-1 |
| Molecular Weight (g/mol) | 307.199 |
| ChEBI | CHEBI:15918 |
| MDL Number | MFCD00006546 |
| SMILES | C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)O)O |
| Synonym | dcmp,deoxycytidylic acid,deoxycytidine monophosphate,2'-deoxycytidine-5'-monophosphate,2'-deoxycytidine-5'-monophosphoric acid,5'-cytidylic acid, 2'-deoxy,2'-deoxycytidine 5'-monophosphate,deoxycytidylate,polydeoxycytidylic acid,deoxycytidine-5'-monophosphoric acid |
| IUPAC Name | [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate |
| InChI Key | NCMVOABPESMRCP-SHYZEUOFSA-N |
| Molecular Formula | C9H14N3O7P |
Magnesium Di Citrate, MP Biomedicals
CAS: 3344-18-1 Molecular Formula: C12H12Mg3O15 Molecular Weight (g/mol): 469.128 InChI Key: HZTVQLXIRHEMMB-UHFFFAOYSA-H Synonym: trimagnesium 2+ dicitrate hydrate PubChem CID: 122198783 IUPAC Name: trimagnesium;2-hydroxypropane-1,2,3-tricarboxylate;hydrate SMILES: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.[Mg+2].[Mg+2].[Mg+2]
| PubChem CID | 122198783 |
|---|---|
| CAS | 3344-18-1 |
| Molecular Weight (g/mol) | 469.128 |
| SMILES | C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.[Mg+2].[Mg+2].[Mg+2] |
| Synonym | trimagnesium 2+ dicitrate hydrate |
| IUPAC Name | trimagnesium;2-hydroxypropane-1,2,3-tricarboxylate;hydrate |
| InChI Key | HZTVQLXIRHEMMB-UHFFFAOYSA-H |
| Molecular Formula | C12H12Mg3O15 |
Thermo Scientific Chemicals Tamoxifen citrate, 98%
CAS: 54965-24-1 Molecular Formula: C32H37NO8 Molecular Weight (g/mol): 563.65 MDL Number: MFCD00058321 InChI Key: FQZYTYWMLGAPFJ-OQKDUQJOSA-N Synonym: tamoxifen citrate,istubal,zitazonium,unii-7frv7310n6,i.c.i. 46474 citrate,tamoxifen citrate salt,farmifeno,ginarsan,jenoxifen PubChem CID: 2733525 ChEBI: CHEBI:9397 IUPAC Name: 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid SMILES: OC(=O)CC(O)(CC(O)=O)C(O)=O.CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1
| PubChem CID | 2733525 |
|---|---|
| CAS | 54965-24-1 |
| Molecular Weight (g/mol) | 563.65 |
| ChEBI | CHEBI:9397 |
| MDL Number | MFCD00058321 |
| SMILES | OC(=O)CC(O)(CC(O)=O)C(O)=O.CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 |
| Synonym | tamoxifen citrate,istubal,zitazonium,unii-7frv7310n6,i.c.i. 46474 citrate,tamoxifen citrate salt,farmifeno,ginarsan,jenoxifen |
| IUPAC Name | 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid |
| InChI Key | FQZYTYWMLGAPFJ-OQKDUQJOSA-N |
| Molecular Formula | C32H37NO8 |