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CHEBI:45304 - rifapentine

ChEBI IDCHEBI:45304
ChEBI Namerifapentine
Stars
Secondary ChEBI IDsCHEBI:8861, CHEBI:45300
Last Modified22 February 2017
DownloadsMolfile
FormulaC47H64N4O12
Net Charge0
Average Mass877.045
Monoisotopic Mass876.45207
SMILESCO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C6CCCC6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C
InChIInChI=1S/C47H64N4O12/c1-24-13-12-14-25(2)46(59)49-37-32(23-48-51-20-18-50(19-21-51)31-15-10-11-16-31)41(56)34-35(42(37)57)40(55)29(6)44-36(34)45(58)47(8,63-44)61-22-17-33(60-9)26(3)43(62-30(7)52)28(5)39(54)27(4)38(24)53/h12-14,17,22-24,26-28,31,33,38-39,43,53-57H,10-11,15-16,18-21H2,1-9H3,(H,49,59)/b13-12+,22-17+,25-14-,48-23+/t24-,26+,27+,28+,33-,38-,39+,43+,47-/m0/s1
InChIKeyWDZCUPBHRAEYDL-GZAUEHORSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
antitubercular agent  A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis.
leprostatic drug  A substance that suppresses Mycobacterium leprae, ameliorates the clinical manifestations of leprosy, and/or reduces the incidence and severity of leprous reactions.
Applications:
antitubercular agent  A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis.
leprostatic drug  A substance that suppresses Mycobacterium leprae, ameliorates the clinical manifestations of leprosy, and/or reduces the incidence and severity of leprous reactions.
ChEBI Ontology
Outgoing Relation(s)
rifapentine (CHEBI:45304) has role antitubercular agent (CHEBI:33231)
rifapentine (CHEBI:45304) has role leprostatic drug (CHEBI:35816)
rifapentine (CHEBI:45304) is a N-alkylpiperazine (CHEBI:46845)
rifapentine (CHEBI:45304) is a N-iminopiperazine (CHEBI:46847)
rifapentine (CHEBI:45304) is a rifamycins (CHEBI:26580)
IUPAC Name 
(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-26-{(E)-[(4-cyclopentylpiperazin-1-yl)imino]methyl}-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),1(29),2,4,9,19,21,25,27-nonaen-13-yl acetate
Synonyms  Source
3-(((4-Cyclopentyl-1-piperazinyl)imino)methyl)rifamycinChemIDplus
CyclopentylrifampicinChemIDplus
Priftin (TN)KEGG DRUG
RifapentineKEGG COMPOUND
Manual XrefsDatabases
C08059KEGG COMPOUND
D00879KEGG DRUG
DB01201DrugBank
RifapentineWikipedia
Registry NumbersSources
CAS:61379-65-5KEGG COMPOUND
CAS:61379-65-5ChemIDplus