Doxorubicin Hydrochloride
PubChem CID: 443939
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| Compound Synonyms | Doxorubicin Hydrochloride, 25316-40-9, Doxorubicin HCl, Adriacin, Rubex, ADRIAMYCIN HYDROCHLORIDE, Hydroxydaunorubicin hydrochloride, Adriblastina, Caelyx, Doxil, Adriamycin PFS, Adriamycin RDF, ADRIAMYCIN, HYDROCHLORIDE, Adrosal, Duxocin, Adriablastina cs, Lipo-Dox, ADM hydrochloride, Doxorubicin (hydrochloride), doxorubicin.HCl, UNII-82F2G7BL4E, Adriblastin, CCRIS 740, hydroxydaunomycin hydrochloride, 82F2G7BL4E, DTXSID3030636, EINECS 246-818-3, FI 6804, Doxorubicin (Adriamycin) HCl, MLS001401460, DTXCID1010636, Doxorubicin hydrochloride [USP:JAN], Hydroxydaunorubicin, Lipodox, SMR000058570, ADRIAMYCIN (IARC), ADRIAMYCIN [IARC], MFCD00077757, DSSTox_CID_10636, DSSTox_RID_80678, DSSTox_GSID_45111, (8S,10S)-10-(((2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione hydrochloride, (8S,10S)-10-((3-Amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-8-glycoloyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione hydrochloride, IMX-110 COMPONENT DOXORUBICIN HYDROCHLORIDE, Doxorubicin citric acid salt, Adriblastina RD, MLS000028393, Doxorubicin hydrochloride (USP:JAN), DOXORUBICIN HYDROCHLORIDE (MART.), DOXORUBICIN HYDROCHLORIDE [MART.], (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione, hydrochloride, (8S,10S)-10-((2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yloxy)-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione hydrochloride, (8S,10S)-10-{[(2R,4S,5S,6S)-4-AMINO-5-HYDROXY-6-METHYLOXAN-2-YL]OXY}-6,8,11-TRIHYDROXY-8-(2-HYDROXYACETYL)-1-METHOXY-5,7,8,9,10,12-HEXAHYDROTETRACENE-5,12-DIONE HYDROCHLORIDE, 5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, hydrochloride, (8S,10S)-, 5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, hydrochloride, (8S-cis)-, 5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxylacetyl)-1-methoxy-, hydrochloride (8S-cis)-, DOX, DOXORUBICIN HYDROCHLORIDE (USP-RS), DOXORUBICIN HYDROCHLORIDE [USP-RS], FI 106, DOXORUBICIN HYDROCHLORIDE (EP MONOGRAPH), DOXORUBICIN HYDROCHLORIDE [EP MONOGRAPH], DOXORUBICIN HYDROCHLORIDE (USP MONOGRAPH), DOXORUBICIN HYDROCHLORIDE [USP MONOGRAPH], NSC-123127, SR-01000003049, C27H29NO11.HCl, KW-125, adriamycine, Adriblastine, Doxorubin, Resmycin, Doxorubicin hydrochloride [JAN], Adriamycin (TN), DOX base, Adriacin (TN), (1S,3S)-3-glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-a-L-lyxo-hexopyranoside hydrochloride, (8S-cis)-10-[(3-Amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxynaphthacene-5,12-dione hydrochloride, Prestwick_188, Doxil (TN), Rubex (TN), ADRIAMYCIN HCL, ADRIAMYCIN-HCL, Doxorubicin, free base, FI-106, NSC123127, CPD000058570, Adriblastina hydrochloride, DOXIL (LIPOSOMAL), Doxorubicin hydrochloride?, Doxorubicini hydrochloridum, Hydrochloride, Doxorubicin, NCGC00163543-01, Chloridrato de Doxorrubicina, SCHEMBL3242, CAS-25316-40-9, MLS000049969, MLS000049970, MLS000049971, MLS000070047, MLS000392861, MLS000392871, MLS000392881, MLS000392891, MLS000392901, MLS000759533, MLS001055359, 14'-HYDROXYDAUNOMYCIN, Doxorubicin Hydrochloride,(S), CHEMBL359744, CHEBI:31522, Liposomal doxorubicin hydrochloride, BCPP000429, HMS1569G18, KUC110341C, (8S-cis)-10-((3-Amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxynaphthacene-5,12-dione hydrochloride, EX-A1337, 14-Hydroxydaunorubicin Hydrochloride, Tox21_110050, Tox21_112061, Tox21_202483, Adriamycin (Doxorubicin Hydrochloride, Doxorubicin hydrochloride (liposomal), HB4183, HY-15142R, s1208, AKOS007930231, AKOS015920241, Doxorubicin hydrochloride (JP18/USP), Tox21_110050_1, AD15377, BCP9000237, CCG-100975, CS-1239, Doxorubicin (hydrochloride) (Standard), NC00225, 3-Hydroxyacetyldaunorubicin Hydrochloride, DOXORUBICIN HYDROCHLORIDE [VANDF], DOXORUBICIN HYDROCHLORIDE LIPOSOME, NCGC00014486-01, NCGC00024415-33, NCGC00024415-36, NCGC00260032-01, NCGC00263918-03, AD184265, AS-31687, BD164391, DOXORUBICIN HYDROCHLORIDE [WHO-DD], DOXORUBICIN HYDROCHLORIDE [WHO-IP], HY-15142, KSC-230-184-1, DOXORUBICIN HYDROCHLORIDE [EMA EPAR], Adriamycin, 14-Hydroxydaunomycin hydrochloride, Doxorubicin hydrochloride - Bio-X trade mark, NS00093622, D01275, DOXORUBICIN HYDROCHLORIDE [ORANGE BOOK], EN300-123444, DOXORUBICIN HYDROCHLORIDE LIPOSOME [VANDF], DOXORUBICINI HYDROCHLORIDUM [WHO-IP LATIN], Doxorubicin hydrochloride, 10 mg/ml aqueous solution, Doxorubicin hydrochloride, 98.0-102.0% (HPLC), LIPOSOMAL DOXORUBICIN HYDROCHLORIDE [WHO-DD], SR-01000003049-5, Q27032359, SR-01000003049-10, Z1557399790, Doxorubicin hydrochloride, European Pharmacopoeia (EP) Reference Standard, Doxorubicin hydrochloride, suitable for fluorescence, 98.0-102.0% (HPLC), Doxorubicin Hydrochloride, Pharmaceutical Secondary Standard, Certified Reference Material, Doxorubicin hydrochloride, United States Pharmacopeia (USP) Reference Standard, (2S,4S)-4-(3-Amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyloxy)-2,5,12-trihydroxy-2-hydroxyacetyl-7-methoxy-1,2,3,4-tetrahydrotetracene-6,11-dione monohydrochloride, (8S,10S)-10-(((2R,4S,5S,6S)-4-Amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-7,8,9,10-tetrahydrotetracen, (8S,10S)-10-(((2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dionehydrochloride, (8S,10S)-10-((3-AMINO-2,3,6-TRIDEOXY-.ALPHA.-L-LYXO-HEXOPYRANOSYL)OXY)-8-GLYCOLOYL-7,8,9,10-TETRAHYDRO-6,8,11-TRIHYDROXY-1-METHOXY-5,12-NAPHTHACENEDIONE HYDROCHLORIDE, 10-[(3-Amino-2,3,6-trideoxy-alpha-L-lyxohexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-5,12-naphthacenedione hydrochloride, 246-818-3, 5,12-NAPHTHACENEDIONE, 10-((3-AMINO-2,3,6-TRIDEOXY-.ALPHA.-L-LYXO-HEXOPYRANOSYL)OXY)-7,8,9,10-TETRAHYDRO-6,8,11-TRIHYDROXY-8-(HYDROXYLACETYL)-1-METHOXY-, HYDROCHLORIDE (8S-CIS)-, 5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8, 9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, hydrochloride, (8S-cis)-, 5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-,hydrochloride, (8S-cis)-, Adriamycin, ADR, Doxorubicin, DOX, Caelyx, (8S,10S)-10-[(3-Amino-2,3 ,6-trideoxy-?-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8, 11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione hydrochloride, L-Lyxo-hexopyranoside, 3b-glycol-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1a-naphthacenyl 3-amino-2,3,6-trideoxy-alpha-, hydrochloride |
|---|---|
| Topological Polar Surface Area | 206.0 |
| Hydrogen Bond Donor Count | 7.0 |
| Heavy Atom Count | 40.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 977.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione, hydrochloride |
| Prediction Hob | 0.0 |
| Target Id | NPT668, NPT1044 |
| Molecular Formula | C27H30ClNO11 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MWWSFMDVAYGXBV-RUELKSSGSA-N |
| Fcsp3 | 0.4444444444444444 |
| Logs | -2.69 |
| Rotatable Bond Count | 5.0 |
| Logd | 0.689 |
| Compound Name | Doxorubicin Hydrochloride |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 579.151 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 579.151 |
| Hydrogen Bond Acceptor Count | 12.0 |
| Molecular Weight | 580.0 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.632013200000002 |
| Inchi | InChI=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 |
| Smiles | C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O.Cl |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cephalotaxus Fortunei (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cephalotaxus Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Chloranthus Fortunei (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Lycium Barbarum (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Uncaria Rhynchophylla (Plant) Rel Props:Source_db:cmaup_ingredients