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dihydro-alpha-ergocryptine mesylate

CHEBI:CHEBI_31487

Definition

The methanesulfonic acid salt of dihydro-alpha-ergocryptine.

Chemical Information

Molecular Formula
C33H47N5O8S
Molecular Mass
673.82000
Charge
0
SMILES
CS(O)(=O)=O.[H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])C[C@H](CN2C)C(=O)N[C@@]1(O[C@]2(O)N([C@@H](CC(C)C)C(=O)N3CCC[C@@]23[H])C1=O)C(C)C
InChI
InChI=1S/C32H43N5O5.CH4O3S/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20;1-5(2,3)4/h6,8-9,15,17-18,20,22,24-26,33,41H,7,10-14,16H2,1-5H3,(H,34,38);1H3,(H,2,3,4)/t20-,22-,24-,25+,26+,31-,32+;/m1./s1
InChIKey
TZGKQIBPZOZAKF-PJLVGBPESA-N

Alternative Names

  • (10alphaH)-12'-hydroxy-5'alpha-(2-methylpropyl)-3',6',18-trioxo-2'-(propan-2-yl)-9,10-dihydroergotaman methanesulfonate
  • 9,10-dihydro-alpha-ergocryptine mesylate
  • 9,10-dihydro-alpha-ergocryptine methanesulfonate
  • 9,10alpha-Dihydro-12'-hydroxy-5'alpha-isobutyl-2'-isopropylergotaman-3',6',18-trione monomethanesulphonate
  • Dihydro-alpha-ergocryptine mesylate
  • dihydro-alpha-ergocryptine methanesulfonate

Drug Classification

Important Medical Information

⚕️ This information is sourced from ChEBI (Chemical Entities of Biological Interest) database and is intended for educational purposes only.

  • Always consult with a healthcare professional before starting, stopping, or modifying any medication.
  • Side effects may vary and this list may not be comprehensive.
  • Drug interactions may occur with other medications.

Additional Identifiers

oboInOwl#hasDbXref
KEGG:C13167
core#notation
CHEBI:31487

Additional References

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Additional Attributes

oboInOwl#hasOBONamespace
chebi_ontology
oboInOwl#hasDbXref
KEGG:C13167
oboInOwl#id
CHEBI:31487
core#notation
CHEBI:31487
oboInOwl#inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
BFO_0000051
http://purl.obolibrary.org/obo/CHEBI_34706
22-rdf-syntax-ns#type
http://www.w3.org/2002/07/owl#Class
owl#annotatedSource
t180087
owl#someValuesFrom
t196272