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CHEBI:32233 - Tirilazad mesylate

Default Structure
ChEBI IDCHEBI:32233
ChEBI NameTirilazad mesylate
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC38H52N6O2.CH4O3S
Net Charge0
Average Mass720.981
Monoisotopic Mass720.40329
SMILESCS(=O)(=O)O.[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.CH4O3S/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;1-5(2,3)4/h10-12,23-24,26,29,31,35H,4-9,13-22,25H2,1-3H3;1H3,(H,2,3,4)/t26-,29-,31+,35-,37+,38+;/m1./s1
InChIKeyHPZOOQSXPMEJBV-ODCFVKFUSA-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 mesylate (CHEBI:32233) is a corticosteroid hormone (CHEBI:36699)
Synonyms  Source
Freedox (TN)KEGG COMPOUND
Tirilazad mesylateKEGG COMPOUND
Manual XrefsDatabases
D01930KEGG DRUG
Registry NumbersSources
CAS:110101-67-2KEGG COMPOUND