loading...| Preferred Name |
zotarolimus |
|
| Synonyms |
ABT-578 ABT578 |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_135897 |
|
| charge |
0 |
|
| database_cross_reference |
Drug_Central:2949 CAS:221877-54-9 |
|
| formula |
C52H79N5O12 |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
ABT-578 ABT578 |
|
| id |
CHEBI:135897 |
|
| in_subset | ||
| inchi |
InChI=1S/C52H79N5O12/c1-31-16-12-11-13-17-32(2)43(65-8)28-39-21-19-37(7)52(64,69-39)49(61)50(62)56-23-15-14-18-41(56)51(63)68-44(34(4)26-38-20-22-40(45(27-38)66-9)57-30-53-54-55-57)29-42(58)33(3)25-36(6)47(60)48(67-10)46(59)35(5)24-31/h11-13,16-17,25,30-31,33-35,37-41,43-45,47-48,60,64H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,32-17+,36-25+/t31-,33-,34-,35-,37-,38+,39+,40+,41+,43+,44+,45-,47-,48+,52-/m1/s1 |
|
| inchikey |
CGTADGCBEXYWNE-JUKNQOCSSA-N |
|
| label |
zotarolimus |
|
| mass |
966.212 |
|
| monoisotopicmass |
965.57252 |
|
| notation |
CHEBI:135897 |
|
| prefLabel |
zotarolimus |
|
| smiles |
O(C)[C@H]1[C@H](CC[C@H](C1)C[C@@H](C)[C@]2(OC(=O)[C@]3(N(C(=O)C(=O)[C@]4(O)O[C@](C[C@H](OC)C(C)=CC=CC=C[C@H](C[C@H](C([C@@H]([C@@H](C(=C[C@H](C(C2)=O)C)C)O)OC)=O)C)C)(CC[C@H]4C)[H])CCCC3)[H])[H])N5C=NN=N5 |
|
| treeView | ||
| subClassOf |