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CHEBI:34704 - dihydro-β-ergocryptine mesylate

ChEBI IDCHEBI:34704
ChEBI Namedihydro-β-ergocryptine mesylate
Stars
ASCII Namedihydro-beta-ergocryptine mesylate
DefinitionThe methanesulfonic acid salt of dihydro-β-ergocryptine.
Last Modified3 August 2014
DownloadsMolfile
FormulaC32H43N5O5.CH4O3S
Net Charge0
Average Mass673.833
Monoisotopic Mass673.31453
SMILESCS(=O)(=O)O.[H][C@@]12Cc3cnc4cccc(c34)[C@@]1([H])C[C@@H](C(=O)N[C@]1(C(C)C)O[C@]3(O)N(C1=O)[C@@H](C(C)CC)C(=O)N1CCC[C@]13[H])CN2C
InChIInChI=1S/C32H43N5O5.CH4O3S/c1-6-18(4)27-29(39)36-12-8-11-25(36)32(41)37(27)30(40)31(42-32,17(2)3)34-28(38)20-13-22-21-9-7-10-23-26(21)19(15-33-23)14-24(22)35(5)16-20;1-5(2,3)4/h7,9-10,15,17-18,20,22,24-25,27,33,41H,6,8,11-14,16H2,1-5H3,(H,34,38);1H3,(H,2,3,4)/t18?,20-,22-,24-,25+,27+,31-,32+;/m1./s1
InChIKeyYKEUOHBRJUALFI-LWPOTHECSA-N
ChEBI Ontology
Outgoing Relation(s)
dihydro-β-ergocryptine mesylate (CHEBI:34704) has part dihydro-β-ergocryptine (CHEBI:59925)
dihydro-β-ergocryptine mesylate (CHEBI:34704) is a methanesulfonate salt (CHEBI:38037)
Incoming Relation(s)
ergoloid mesylate (CHEBI:34706) has part dihydro-β-ergocryptine mesylate (CHEBI:34704)
Synonyms  Source
Dihydro-beta-ergocryptine mesylateKEGG COMPOUND
9,10-dihydro-β-ergocryptine mesylateChEBI
9,10-dihydro-β-ergocryptine methanesulfonateChEBI
dihydro-β-ergocryptine methanesulfonateChEBI
Manual XrefsDatabases
C14054KEGG COMPOUND
Registry NumbersSources
Beilstein:8606672Beilstein
CAS:65914-79-6KEGG COMPOUND