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alpha-ergocryptine

CHEBI:CHEBI_10276

Definition

Ergotaman bearing hydroxy, isopropyl, and 2-methylpropyl groups at the 12', 2' and 5' positions, respectively, and oxo groups at positions 3', 6', and 18. It is a natural ergot alkaloid. Ergocryptine discussed in the literature prior to 1967, when beta-ergocryptine was separated from alpha-ergocryptine, is now referred to as alpha-ergocryptine.

Chemical Information

Molecular Formula
C32H41N5O5
Molecular Mass
575.69840
Charge
0
SMILES
[H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N[C@@]1(O[C@]2(O)N([C@@H](CC(C)C)C(=O)N5CCC[C@@]25[H])C1=O)C(C)C)c34
InChI
InChI=1S/C32H41N5O5/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/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38)/t20-,24-,25+,26+,31-,32+/m1/s1
InChIKey
YDOTUXAWKBPQJW-NSLWYYNWSA-N

Alternative Names

  • 12'-hydroxy-2'-(1-methylethyl)-5'alpha-(2-methylpropyl)ergotaman-3',6',18-trione
  • 12'-hydroxy-5'alpha-(2-methylpropyl)-3',6',18-trioxo-2'-(propan-2-yl)ergotaman
  • 12'-hydroxy-5'alpha-isobutyl-2'-isopropylergotaman-3',6',18-trione
  • alpha-Ergocryptine

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
Patent:US2447214
core#notation
CHEBI:10276

Additional References

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Additional Attributes

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http://purl.obolibrary.org/obo/CHEBI_59919
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chebi_ontology
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CHEBI:10276
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http://purl.obolibrary.org/obo/chebi#3_STAR
chebi#has_parent_hydride
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http://www.w3.org/2002/07/owl#Class