The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
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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
ID

http://purl.obolibrary.org/obo/dinto_DB00385
AHFScode

10:00.00
ATCCode

L01DB09
binds

http://purl.obolibrary.org/obo/dinto_2751

http://purl.obolibrary.org/obo/dinto_2873
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

http://purl.obolibrary.org/obo/dinto_2873

http://purl.obolibrary.org/obo/dinto_2751
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

http://purl.obolibrary.org/obo/dinto_2751
label

valrubicin
may interact with

http://purl.obolibrary.org/obo/CHEBI_45863

http://purl.obolibrary.org/obo/CHEBI_4672

http://purl.obolibrary.org/obo/dinto_DB00108

http://purl.obolibrary.org/obo/dinto_DB00072
prefixIRI

obo2:dinto_DB00385
prefLabel

valrubicin
related with

http://purl.obolibrary.org/obo/dinto_2873
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

http://purl.obolibrary.org/obo/dinto_000055
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