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CHEBI:135853 - tirilazad

ChEBI IDCHEBI:135853
ChEBI Nametirilazad
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC38H52N6O2
Net Charge0
Average Mass624.874
Monoisotopic Mass624.41517
SMILES[H][C@@]12C[C@@H](C)[C@H](C(=O)CN3CCN(c4cc(N5CCCC5)nc(N5CCCC5)n4)CC3)[C@@]1(C)CC=C1[C@@]3(C)C=CC(=O)C=C3CC[C@]12[H]
InChIInChI=1S/C38H52N6O2/c1-26-22-31-29-9-8-27-23-28(45)10-12-37(27,2)30(29)11-13-38(31,3)35(26)32(46)25-41-18-20-43(21-19-41)34-24-33(42-14-4-5-15-42)39-36(40-34)44-16-6-7-17-44/h10-12,23-24,26,29,31,35H,4-9,13-22,25H2,1-3H3/t26-,29-,31+,35-,37+,38+/m1/s1
InChIKeyRBKASMJPSJDQKY-RBFSKHHSSA-N
Roles Classification
Biological Role:
hormone  Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds.
ChEBI Ontology
Outgoing Relation(s)
tirilazad (CHEBI:135853) is a corticosteroid hormone (CHEBI:36699)
Synonyms  Source
tirilazad mesylateDrugCentral
tirilazad mesilateDrugCentral
freedoxDrugCentral
Manual XrefsDatabases
4063DrugCentral
Registry NumbersSources
CAS:110101-66-1DrugCentral