loading...| Preferred Name |
valrubicin |
|
| Synonyms |
C34H36F3NO13 2-oxo-2-[(2S,4S)-2,5,12-trihydroxy-4-{[5-hydroxy-6-methyl-4-(trifluoroacetamido)oxan-2-yl]oxy}-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl]ethyl pentanoate |
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| ID |
http://purl.obolibrary.org/obo/dinto_DB00385 |
|
| AHFScode |
10:00.00 |
|
| ATCCode |
L01DB09 |
|
| CASRN |
56124-62-0 |
|
| DBBrand |
valstar preservative free valstar |
|
| DBSynonym |
antibiotic ad 32 |
|
| Definition |
Valrubicin (N-trifluoroacetyladriamycin-14-valerate, Valstar and reg;) is a chemotherapy drug used to treat bladder cancer. Valrubicin is a semisynthetic analog of the anthracycline doxorubicin, and is administered by infusion directly into the bladder. [Wikipedia] |
|
| has pharmacological target | ||
| InChI |
InChI=1S/C34H36F3NO13/c1-4-5-9-21(40)49-13-20(39)33(47)11-16-24(19(12-33)51-22-10-17(27(41)14(2)50-22)38-32(46)34(35,36)37)31(45)26-25(29(16)43)28(42)15-7-6-8-18(48-3)23(15)30(26)44/h6-8,14,17,19,22,27,41,43,45,47H,4-5,9-13H2,1-3H3,(H,38,46)/t14?,17?,19-,22?,27?,33-/m0/s1 |
|
| InChIKey |
InChIKey=ZOCKGBMQLCSHFP-ZQUOIQDWSA-N |
|
| inhibits | ||
| label |
valrubicin |
|
| may interact with |
http://purl.obolibrary.org/obo/CHEBI_45863 http://purl.obolibrary.org/obo/CHEBI_4672 |
|
| prefixIRI |
obo2:dinto_DB00385 |
|
| prefLabel |
valrubicin |
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| related with | ||
| SMILES |
CCCCC(=O)OCC(=O)[C@@]1(O)C[C@H](OC2CC(NC(=O)C(F)(F)F)C(O)C(C)O2)C2=C(C1)C(O)=C1C(=O)C3=C(C(=O)C1=C2O)C(OC)=CC=C3 |
|
| Synonym |
C34H36F3NO13 2-oxo-2-[(2S,4S)-2,5,12-trihydroxy-4-{[5-hydroxy-6-methyl-4-(trifluoroacetamido)oxan-2-yl]oxy}-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl]ethyl pentanoate |
|
| xref |
PubChem Compound:41744 PharmGKB:PA164748616 National Drug Code Directory:67979-001-01 PubChem Substance:46506642 Wikipedia:http://en.wikipedia.org/wiki/Valrubicin Drugs Product Database (DPD):2242466 RxList:http://www.rxlist.com/cgi/generic2/rubicin.htm ChemSpider:38088 Drugs.com:http://www.drugs.com/cdi/valrubicin.html |
|
| subClassOf |