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CHEBI:135888 - pimecrolimus

ChEBI IDCHEBI:135888
ChEBI Namepimecrolimus
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC43H68ClNO11
Net Charge0
Average Mass810.466
Monoisotopic Mass809.44809
SMILES[H][C@@]12O[C@@](O)(C(=O)C(=O)N3CCCC[C@@]3([H])C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@H](C)[C@@H](O)CC(=O)[C@H](CC)/C=C(\C)C[C@H](C)C[C@@H]1OC)[C@H](C)C[C@@H]2OC
InChIInChI=1S/C43H68ClNO11/c1-10-30-18-24(2)17-25(3)19-36(53-8)39-37(54-9)21-27(5)43(51,56-39)40(48)41(49)45-16-12-11-13-32(45)42(50)55-38(28(6)33(46)23-34(30)47)26(4)20-29-14-15-31(44)35(22-29)52-7/h18,20,25,27-33,35-39,46,51H,10-17,19,21-23H2,1-9H3/b24-18+,26-20+/t25-,27+,28+,29-,30+,31-,32-,33-,35+,36-,37-,38+,39+,43+/m0/s1
InChIKeyKASDHRXLYQOAKZ-XDSKOBMDSA-N
ChEBI Ontology
Outgoing Relation(s)
pimecrolimus (CHEBI:135888) is a lactam (CHEBI:24995)
pimecrolimus (CHEBI:135888) is a macrolide (CHEBI:25106)
Synonyms  Source
elidelDrugCentral
picrolimusDrugCentral
Manual XrefsDatabases
2168DrugCentral
Registry NumbersSources
CAS:137071-32-0DrugCentral