loading...| Preferred Name |
rifapentine |
|
| Synonyms |
(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[23.3.1.1(4,7).0(5,28)]triaconta-1(28),1(29),2,4,9,19,21,25,27-nonaen-13-yl acetate Rifapentine 3-(((4-Cyclopentyl-1-piperazinyl)imino)methyl)rifamycin Cyclopentylrifampicin Priftin (TN) |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_45304 |
|
| charge |
0 |
|
| database_cross_reference |
Wikipedia:Rifapentine DrugBank:DB01201 KEGG:D00879 CAS:61379-65-5 KEGG:C08059 |
|
| formula |
C47H64N4O12 |
|
| has exact synonym |
(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[23.3.1.1(4,7).0(5,28)]triaconta-1(28),1(29),2,4,9,19,21,25,27-nonaen-13-yl acetate Rifapentine |
|
| has role | ||
| has_alternative_id |
CHEBI:8861 CHEBI:45300 |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
3-(((4-Cyclopentyl-1-piperazinyl)imino)methyl)rifamycin Cyclopentylrifampicin Priftin (TN) |
|
| id |
CHEBI:45304 |
|
| in_subset | ||
| 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 |
|
| label |
rifapentine |
|
| mass |
877.03082 |
|
| monoisotopicmass |
876.45207 |
|
| notation |
CHEBI:45304 |
|
| prefLabel |
rifapentine |
|
| 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 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_46845 |