doxorubicin hydrochloride

substance

Wikidata entity: Q27032359

C₂₇H₃₀ClNO₁₁ (P274)

Quantities

P2067mass579.151

P3780 active ingredient in ... Q29004943 (Caelyx) Caelyx
P3780 active ingredient in ... Q29006195 (Myocet) Myocet
P233 canonical SMILES String CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)N)O.Cl ???
P366 has use ... Q12140 (medication) medication
P31 instance of ... Q113145171 (type of chemical entity) type of chemical entity
P2017 isomeric SMILES String C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)N)O.Cl ???
P2175 medical condition treated ... Q181257 (prostate cancer) prostate cancer
P2175 medical condition treated ... Q29496 (leukemia) leukemia
P2175 medical condition treated ... Q208414 (lymphoma) lymphoma
P2175 medical condition treated ... Q212961 (pancreatic cancer) pancreatic cancer
P2175 medical condition treated ... Q324464 (testicular cancer) testicular cancer
P2175 medical condition treated ... Q467635 (multiple myeloma) multiple myeloma
P2175 medical condition treated ... Q1671502 (liver tumor) liver tumor
P2175 medical condition treated ... Q1783924 (head and neck cancer) head and neck cancer
P2175 medical condition treated ... Q5526839 (gastrointestinal system cancer) gastrointestinal system cancer
P2175 medical condition treated ... Q18555143 (benign mesothelioma) benign mesothelioma
P2175 medical condition treated ... Q18556020 (lung benign neoplasm) lung benign neoplasm
P2175 medical condition treated ... Q18556131 (thyroid carcinoma) thyroid carcinoma
P2175 medical condition treated ... Q18557394 (embryonal cancer) embryonal cancer
P2175 medical condition treated ... Q938205 (neuroblastoma) neuroblastoma
P2175 medical condition treated ... Q1138580 (Ewing sarcoma) Ewing sarcoma
P2175 medical condition treated ... Q1209744 (uterine cancer) uterine cancer
P2175 medical condition treated ... Q18975788 (spindle cell sarcoma) spindle cell sarcoma
P12099 parent form of an active substance ... Q18936 (doxorubicin) doxorubicin
P129 physically interacts with ... Q21108482 (DNA topoisomerase II alpha) DNA topoisomerase II alpha
P3364 stereoisomer of ... Q27253634 (epirubicin hydrochloride) epirubicin hydrochloride
P3364 stereoisomer of ... Q82957293 (3,5,12-Trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxyhexopyranoside--hydrogen chloride (1/1)) 3,5,12-Trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxyhexopyranoside--hydrogen chloride (1/1)
P279 subclass of ... Q11173 (chemical compound) chemical compound
P2868 subject has role ... Q187661 (carcinogen) carcinogen
P2868 subject has role ... Q4118287 (DNA polymerase inhibitors) DNA polymerase inhibitors
P2868 subject has role ... Q55427774 (male reproductive toxicant) male reproductive toxicant
P2868 subject has role ... Q72941151 (developmental toxicant) developmental toxicant
External Ids
P7524CA PROP 65 IDdoxorubicin-hydrochloride
P11931CAMEO Chemicals ID19724
P231CAS Registry Number25316-40-9
P683ChEBI ID31522
P592ChEMBL IDCHEMBL359744
P661ChemSpider ID391993
P8494DSSTOX compound identifierDTXCID1010636
P3117DSSTox substance IDDTXSID3030636
P232EC number246-818-3
P2566ECHA Substance Infocard ID100.042.548
P234InChIInChI=1S/C27H29NO11.ClH/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34;/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3;1H/t10-,13-,15-,17-,22+,27-;/m0./s1
P235InChIKeyMWWSFMDVAYGXBV-RUELKSSGSA-N
P2115NDF-RT IDN0000146444
P2840NSC number123127
P11199Probes And Drugs IDPD003015
P662PubChem CID443939
P662PubChem CID11387649
P662PubChem CID657367
P3345RxNorm CUI142433
P2877SureChEMBL ID3242
P2892UMLS CUIC0546861
P11089UniChem compound ID628275
P652UNII82F2G7BL4E
P679ZVG number490050

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