Request the information of one compound from PubChem

request_pubchem_compound(compound_id = "5288826")

Arguments

compound_id: compound_id name

Value

A list.

Author

Xiaotao Shen shenxt1990@outlook.com

Examples

x <- request_pubchem_compound(compound_id = "5288826")
names(x)
#> [1] "Computed_Descriptors" "Molecular_Formula"    "Other_Identifiers"   
#> [4] "Synonyms"            
x$Computed_Descriptors
#>                                                                                                                                              IUPAC Name 
#>                                           "(4R,4aR,7S,7aR,12bS)-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol" 
#>                                                                                                                                                   InChI 
#> "InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1" 
#>                                                                                                                                                InChIKey 
#>                                                                                                                           "BQJCRHHNABKAKU-KBQPJGBKSA-N" 
#>                                                                                                                                        Canonical SMILES 
#>                                                                                                             "CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O" 
#>                                                                                                                                         Isomeric SMILES 
#>                                                                                         "CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O" 
x$Molecular_Formula
#> [1] "C17H19NO3"
x$Other_Identifiers
#>                                                            CAS 
#>                                                      "57-27-2" 
#>                                                    Related CAS 
#>                "6211-15-0 (sulfate (2:1) (salt) pentahydrate)" 
#>                                                 Deprecated CAS 
#> "8053-16-5, 85201-37-2, 47106-99-0, 863713-90-0, 1325730-46-8" 
#>                                 European Community (EC) Number 
#>                                                    "200-320-2" 
#>                                                           UNII 
#>                                                   "76I7G6D29C" 
#>                                            DSSTox Substance ID 
#>                                                "DTXSID9023336" 
#>                                                       Wikidata 
#>                                                       "Q81225" 
#>                                             NCI Thesaurus Code 
#>                                                       "C62051" 
#>                                                          RXCUI 
#>                                                         "7052" 
x$Synonyms
#> [1] "morphine{}Morphia{}Morphium{}Morphinum{}Morphin{}(-)-Morphine{}Morphina{}Ospalivina{}57-27-2{}DepoDur{}Duromorph{}Meconium{}Morphinism{}Moscontin{}MS Contin{}l-Morphine{}Dulcontin{}Morfina{}Nepenthe{}Roxanol{}MORPHINE SULFATE{}Infumorph{}Dreamer{}Morpho{}Avinza{}Hocus{}Kadian{}Unkie{}Cube juice{}Hard stuff{}Statex SR{}Ms Emma{}Morphin [German]{}Morfina [Italian]{}Duramorph{}Morphina [Italian]{}M-Eslon{}Morphine [BAN]{}CCRIS 5762{}HSDB 2134{}Anhydrous morphine{}(5R,6S,9R,13S,14R)-4,5-Epoxy-N-methyl-7-morphinen-3,6-diol{}UNII-76I7G6D29C{}CHEBI:17303{}CHEMBL70{}(5alpha,6alpha)-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol{}4,5alpha-Epoxy-17-methyl-7-morphinen-3,6alpha-diol{}7,8-Didehydro-4,5-epoxy-17-methyl-morphinan-3,6-diol{}(7R,7AS,12BS)-3-METHYL-2,3,4,4A,7,7A-HEXAHYDRO-1H-4,12-METHANO[1]BENZOFURO[3,2-E]ISOQUINOLINE-7,9-DIOL{}Morphine Anhydrate{}76I7G6D29C{}Morphine (BAN){}Dolcontin{}RMS{}(5alpha,6alpha)-Didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol{}Morphinan-3,6-alpha-diol, 7,8-didehydro-4,5-alpha-epoxy-17-methyl-{}Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl-, (5alpha,6alpha)-{}(4R,4aR,7S,7aR,12bS)-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol{}methyl[?]diol{}Aguettant{}Dinamorf{}Sevredol{}Dimorf{}(5alpha,6alpha)-7,8-Didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol{}D-(-)-Morphine{}9H-9,9c-Iminoethanophenanthro(4,5-bcd)furan-3,5-diol, 4a,5,7a,8-tetrahydro-12-methyl-{}EINECS 200-320-2{}Oramorph{}DEA No. 9300{}(Morphine){}Morphine anhydrous{}N02AA01{}Morphine polistirex{}Substitol (TN){}MOR{}(-)-(etorphine){}(-)Morphine sulfate{}Morphine (anhydrous){}Morfina Dosa (TN){}NSC11441{}Morphine extended release{}Epitope ID:116646{}SCHEMBL2997{}BIDD:GT0147{}GTPL1627{}IDS-NM-009{}DTXSID9023336{}Morphine 0.1 mg/ml in Methanol{}Morphine 1.0 mg/ml in Methanol{}ZINC3812983{}BDBM50000092{}AKOS015966554{}DB00295{}MOI{}C01516{}D08233{}Hydromorphone hydrochloride impurity, morphine-{}Q81225{}7,8-Didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol{}UNII-1M5VY6ITRT component BQJCRHHNABKAKU-KBQPJGBKSA-N{}17-methyl-7,8-didehydro-4,5alpha-epoxymorphinan-3,6alpha-diol{}7,8-Didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol(morphine){}(5alpha,6beta)-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol{}3-(4-Hydroxy-phenyl)-1-propyl-piperidine-3-carboxylic acid ethyl ester{}6-tert-Butyl-3-methyl-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocine{}(-)(5.alpha.,6.alpha.)-7,8-Didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol{}Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5..alpha.,6.alpha.)-{}Morphine solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material{}(1S,5R,13R,14S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol{}(1S,5R,13R,14S,17R)-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0?,??.0?,??.0?,??]octadeca-7,9,11(18),15-tetraene-10,14-diol{}(1S,5R,13R,14S,17R)-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10,15-tetraene-10,14-diol{}(1S,5R,13R,14S,17R)-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7,9,11(18),15-tetraene-10,14-diol{}(morphine) 4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol{}2-{4-[2,4-diamino-6-pteridinylmethyl(methyl)amino]phenylcarboxamido}pentanedioic acid(morphine){}4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol{}4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol ; HydroChloride{}4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol ;sulphate salt(morphine){}4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol((Morphine)){}4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol(morphine sulfate){}4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol(morphine){}4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol(Morphine)(HCl){}4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol,sulfate(Morphinesulfate){}4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diolMorphine{}4-methyl-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol{}4-methyl-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol (morphine){}4-methyl-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol(Morphine){}6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol(Morphine){}9H-9,9c-Iminoethanophenanthro(4,5-bcd)furan-3,5-diol, 4alpha,5,7alpha,8-tetrahydro-12-methyl-{}MORPHINE; (5A,6A)-7,8-DIDEHYDRO-4,5-EPOXY-17-METHYLMORPHINIAN-3,6-DIOL; MORPHIUM; MORPHIA; DOLCONTIN; DUROMORPH; MORPHINA; NEPENTHE{}Morphine;4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol"