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Dihydro-alpha-ergocryptine

CHEBI:CHEBI_59919

Definition

alpha-Ergocryptine in which a single bond replaces the double bond between positions 9 and 10.

Chemical Information

Molecular Formula
C32H43N5O5
Molecular Mass
577.71430
Charge
0
SMILES
[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/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/h6,8-9,15,17-18,20,22,24-26,33,41H,7,10-14,16H2,1-5H3,(H,34,38)/t20-,22-,24-,25+,26+,31-,32+/m1/s1
InChIKey
PBUNVLRHZGSROC-VTIMJTGVSA-N

Alternative Names

  • (10alphaH)-12'-hydroxy-5'alpha-(2-methylpropyl)-3',6',18-trioxo-2'-(propan-2-yl)-9,10-dihydroergotaman
  • 12'-hydroxy-2'-(1-methylethyl)-5'alpha-(2-methylpropyl)-9,10alpha-dihydroergotaman-3',6',18-trione
  • 9,10-dihydro-alpha-ergocryptine
  • alpha-dihydroergocryptine

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

DRON_00010000
91170
oboInOwl#hasDbXref
PMID:8748631
core#notation
CHEBI:59919

Additional References

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Additional Attributes

oboInOwl#hasOBONamespace
chebi_ontology
DRON_00010000
91170
oboInOwl#hasDbXref
PMID:8748631
oboInOwl#id
CHEBI:59919
core#notation
CHEBI:59919
oboInOwl#inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
chebi#has_parent_hydride
http://purl.obolibrary.org/obo/CHEBI_36185
chebi#has_functional_parent
http://purl.obolibrary.org/obo/CHEBI_10276
22-rdf-syntax-ns#type
http://www.w3.org/2002/07/owl#Class
BFO_0000051
http://purl.obolibrary.org/obo/CHEBI_31487
owl#someValuesFrom
t848688
owl#annotatedSource
t256013