loading...| Preferred Name |
pimecrolimus |
|
| Synonyms |
elidel picrolimus |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_135888 |
|
| alternative term |
elidel picrolimus |
|
| charge |
0 |
|
| database_cross_reference |
Drug_Central:2168 CAS:137071-32-0 |
|
| formula |
C43H68ClNO11 |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
elidel picrolimus |
|
| id |
CHEBI:135888 |
|
| in_subset | ||
| inchi |
InChI=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 |
|
| inchikey |
KASDHRXLYQOAKZ-XDSKOBMDSA-N |
|
| label |
pimecrolimus |
|
| mass |
810.455 |
|
| monoisotopicmass |
809.44809 |
|
| notation |
CHEBI:135888 |
|
| prefLabel |
pimecrolimus |
|
| smiles |
O(C)[C@@H]1[C@@]2(O[C@@]([C@@H](C1)C)(O)C(=O)C(=O)N3[C@](C(=O)O[C@H](/C(=C/[C@H]4C[C@@H](OC)[C@H](CC4)Cl)/C)[C@@H]([C@H](CC([C@@H](C=C(C[C@@H](C[C@@H]2OC)C)C)CC)=O)O)C)(CCCC3)[H])[H] |
|
| subClassOf |