Primary Record
doxorubicin-glucuronide
- In stock
- 550 g
- Purity
- 98.1 %
Compound Identifiers & Properties
- PubChem CID
- 10328421
- 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)NC(=O)OCC6=CC(=C(C=C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)[N+](=O)[O-])O
- Canonical SMILES
- COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](NC(=O)OCc2ccc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c([N+](=O)[O-])c2)[C@H](O)[C@H](C)O1
Names & Synonyms
- doxorubicin-glucuronide
- CHEMBL3219945
- CID 9941137
- CID10328421
- J580.960F
- (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{4-[({[(2S,3S,4S,6R)-3-hydroxy-2-methyl-6-{[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl]oxy}oxan-4-yl]carbamoyl}oxy)methyl]-2-nitrophenoxy}oxane-2-carboxylic acid
- (8S,10S)-10-[3-[[[[4-(beta-D-Glucopyranuronosyloxy)-3-nitrobenzyl]oxy]carbonyl]amino]-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyloxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxynaphthacene-5,12-dione