Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0RI6O
|
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| Former ID |
DNC003559
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| Drug Name |
Doxorubicin-Formaldehyde Conjugate
|
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C57H56F3N5O17
|
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| Canonical SMILES |
CCCC(=O)OC1=C(C=C(C=C1)COCC#CCN2C(=O)N(C(=O)C2(C)C)C3=CC(=C(C=C3)C#N)C(F)(F)F)C(=O)NCNC4CC(OC(C4O)C)OC5CC(CC6=C5C(=C7C(=C6O)C(=O)C8=C(C7=O)C(=CC=C8)OC)O)(C(=O)CO)O
|
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| InChI |
1S/C57H56F3N5O17/c1-6-10-41(68)81-37-16-13-29(26-79-18-8-7-17-64-54(76)65(53(75)55(64,3)4)31-15-14-30(24-61)35(20-31)57(58,59)60)19-33(37)52(74)63-27-62-36-21-42(80-28(2)47(36)69)82-39-23-56(77,40(67)25-66)22-34-44(39)51(73)46-45(49(34)71)48(70)32-11-9-12-38(78-5)43(32)50(46)72/h9,11-16,19-20,28,36,39,42,47,62,66,69,71,73,77H,6,10,17-18,21-23,25-27H2,1-5H3,(H,63,74)/t28-,36-,39?,42?,47+,56-/m0/s1
|
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| InChIKey |
WLZCINFVVNITPX-ZJLMMONESA-N
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| PubChem Compound ID | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Design, synthesis, and biological evaluation of doxorubicin-formaldehyde conjugates targeted to breast cancer cells. J Med Chem. 2004 Feb 26;47(5):1193-206. | |||
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