loading...| Preferred Name |
saralasin |
|
| Synonyms |
saralasin acetate saralasin acetate hydrate aralasin |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_135894 |
|
| charge |
0 |
|
| database_cross_reference |
Drug_Central:3542 CAS:34273-10-4 |
|
| formula |
C42H65N13O10 |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
saralasin acetate saralasin acetate hydrate aralasin |
|
| has_RxCUI |
9556 |
|
| id |
CHEBI:135894 |
|
| in_subset | ||
| inchi |
InChI=1S/C42H65N13O10/c1-22(2)33(53-35(58)28(50-32(57)20-45-6)9-7-15-47-42(43)44)38(61)51-29(17-25-11-13-27(56)14-12-25)36(59)54-34(23(3)4)39(62)52-30(18-26-19-46-21-48-26)40(63)55-16-8-10-31(55)37(60)49-24(5)41(64)65/h11-14,19,21-24,28-31,33-34,45,56H,7-10,15-18,20H2,1-6H3,(H,46,48)(H,49,60)(H,50,57)(H,51,61)(H,52,62)(H,53,58)(H,54,59)(H,64,65)(H4,43,44,47)/t24-,28-,29-,30-,31-,33-,34-/m0/s1 |
|
| inchikey |
PFGWGEPQIUAZME-NXSMLHPHSA-N |
|
| label |
saralasin Saralasin |
|
| mass |
912.048 |
|
| monoisotopicmass |
911.49774 |
|
| notation |
CHEBI:135894 |
|
| prefixIRI |
CHEBI:135894 |
|
| prefLabel |
saralasin |
|
| smiles |
C(N[C@@H](CCCNC(N)=N)C(N[C@@H](C(C)C)C(N[C@@H](CC1=CC=C(O)C=C1)C(N[C@@H](C(C)C)C(N[C@@H](CC2=CNC=N2)C(N3CCC[C@H]3C(N[C@@H](C)C(O)=O)=O)=O)=O)=O)=O)=O)(=O)CNC |
|
| subClassOf |