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9,10-Anhydro Doxorubicin , CAS No.80996-23-2
Basic Description
Synonyms | 5,12-Dihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,6,11-tetrahydrotetracen-1-yl 3-amino-2,3,6-trideoxyhexopyranoside | DTXSID201001687 | (7S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,11-dihydroxy-9-(2-hydroxyacetyl)-4-methoxy-7,8 |
Shipped In | Normal |
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Names and Identifiers
IUPAC Name | (7S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,11-dihydroxy-9-(2-hydroxyacetyl)-4-methoxy-7,8-dihydrotetracene-5,12-dione |
INCHI | InChI=1S/C27H27NO10/c1-10-23(31)14(28)8-18(37-10)38-17-7-11(15(30)9-29)6-13-20(17)27(35)22-21(25(13)33)24(32)12-4-3-5-16(36-2)19(12)26(22)34/h3-6,10,14,17-18,23,29,31,33,35H,7-9,28H2,1-2H3/t10-,14-,17-,18-,23+/m0/s1 |
InChi Key | GNZRKCZTDXRJOT-DYOIPSMXSA-N |
Canonical SMILES | CC1C(C(CC(O1)OC2CC(=CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)C(=O)CO)N)O |
Isomeric SMILES | C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC(=CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)C(=O)CO)N)O |
PubChem CID | 196554 |
Molecular Weight | 525.5 |
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