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CHEBI:59862 - myrophine hydrochloride

ChEBI IDCHEBI:59862
ChEBI Namemyrophine hydrochloride
Stars
DefinitionThe hydrochloride salt of myrophine.
Last Modified11 April 2013
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC38H51NO4.HCl
Net Charge0
Average Mass622.290
Monoisotopic Mass621.35849
SMILESCl.[H][C@@]12Oc3c(OCc4ccccc4)ccc4c3[C@@]13CCN(C)[C@H](C4)[C@]3([H])C=C[C@]2([H])OC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C38H51NO4.ClH/c1-3-4-5-6-7-8-9-10-11-12-16-19-34(40)42-33-23-21-30-31-26-29-20-22-32(41-27-28-17-14-13-15-18-28)36-35(29)38(30,37(33)43-36)24-25-39(31)2;/h13-15,17-18,20-23,30-31,33,37H,3-12,16,19,24-27H2,1-2H3;1H/t30-,31+,33-,37-,38-;/m0./s1
InChIKeyOIJOFEMANOKQAR-VRVMWUCTSA-N
Roles Classification
Biological Role:
opioid analgesic  A narcotic or opioid substance, synthetic or semisynthetic agent producing profound analgesia, drowsiness, and changes in mood.
Application:
opioid analgesic  A narcotic or opioid substance, synthetic or semisynthetic agent producing profound analgesia, drowsiness, and changes in mood.
ChEBI Ontology
Outgoing Relation(s)
myrophine hydrochloride (CHEBI:59862) has part myrophine (CHEBI:59860)
myrophine hydrochloride (CHEBI:59862) has role opioid analgesic (CHEBI:35482)
myrophine hydrochloride (CHEBI:59862) is a hydrochloride (CHEBI:36807)
IUPAC Name 
3-benzyloxy-17-methyl-7,8-didehydro-4,5α-epoxymorphinan-6α-yl tetradecanoate hydrochloride