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Showing CypComp Card for CC01854: MDMA (CypBoM Training Set)

Record Information
Version1.0
Creation Date2019-07-14 16:35:17 UTC
Last Updated2019-10-01 21:40:54 UTC
CypComp IDCC01854
Compound Information
NameMDMA
Structure ImageShxwcvyoxrdmcx mrvpvssysa n
InChIKeySHXWCVYOXRDMCX-MRVPVSSYSA-N
PubChem ID667458
CypCompound Information
SetCypBoM Training Set
Bonds of Metabolism (BoMs)
CYP1A2CYP2A6CYP2B6CYP2C8CYP2C9CYP2C19CYP2D6CYP2E1CYP3A4
  • <11,H;Oxidation;R1>
  • <11,10;Cleavage;R1>
  • <13,H;Oxidation;R2>
  • <13,14;Cleavage;R2>
  • <13,12;Cleavage;R2>
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • Not Available
  • <11,H;Oxidation;R1>
  • <11,10;Cleavage;R1>
  • <13,H;Oxidation;R2>
  • <13,14;Cleavage;R2>
  • <13,12;Cleavage;R2>
  • Not Available
  • <13,H;Oxidation;R1>
  • <13,14;Cleavage;R1>
  • <13,12;Cleavage;R1>
References
  1. Maurer HH, Bickeboeller-Friedrich J, Kraemer T, Peters FT: Toxicokinetics and analytical toxicology of amphetamine-derived designer drugs ('Ecstasy'). Toxicol Lett. 2000 Mar 15;112-113:133-42. [PubMed:10720722 ]
Download FileCC01854.sdf