CHEBI:45304 - rifapentine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name rifapentine
ChEBI ID CHEBI:45304
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:45300, CHEBI:8861
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Formula C47H64N4O12
Net Charge 0
Average Mass 877.03082
Monoisotopic Mass 876.452
InChI InChI=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
InChIKey WDZCUPBHRAEYDL-GZAUEHORSA-N
SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(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)c(\C=N\N1CCN(CC1)C1CCCC1)c(O)c4c3C2=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): 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.
Application(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
3-(((4-Cyclopentyl-1-piperazinyl)imino)methyl)rifamycin ChemIDplus
Cyclopentylrifampicin ChemIDplus
Priftin (TN) KEGG DRUG
Rifapentine KEGG COMPOUND
Manual Xrefs Databases
C08059 KEGG COMPOUND
D00879 KEGG DRUG
DB01201 DrugBank
Rifapentine Wikipedia
View more database links
Registry Numbers Types Sources
61379-65-5 CAS Registry Number KEGG COMPOUND
61379-65-5 CAS Registry Number ChemIDplus
Last Modified
22 February 2017