Details of the Drug

General Information of Drug (ID: DMIVMR3)

• Drug Name: Prajmaline
• Synonyms: N(sup 4)-Propylajmalinium; N-Propylajmaline; N-Propylajmalinium; Prajmaline; Prajmalium; Prajmalum; (17R,21-alpha)-17,21-Dihydroxy-4-propylajmalanium; 35080-11-6; 75934UD4GJ; Ajmalanium, 17,21-dihydroxy-4-propyl-, (17R,21-alpha)-; CHEBI:135560; UNII-75934UD4GJ
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 369.5
  Logarithm of the Partition Coefficient (xlogp); 2.7
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C23H33N2O2+
  IUPAC Name: (1R,9R,10S,12R,13S,14R,15R,16S,17S,18R)-13-ethyl-8-methyl-15-propyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol
  Canonical SMILES: CCC[N+]12C3CC(C(C1O)CC)C4C2CC5(C3N(C6=CC=CC=C65)C)C4O
  InChI: UAUHEPXILIZYCU-ALHOSYKFSA-N
  InChIKey: 1S/C23H33N2O2/c1-4-10-25-17-11-14(13(5-2)22(25)27)19-18(25)12-23(21(19)26)15-8-6-7-9-16(15)24(3)20(17)23/h6-9,13-14,17-22,26-27H,4-5,10-12H2,1-3H3/q+1/t13-,14-,17-,18-,19-,20-,21+,22+,23+,25-/m0/s1
• Cross-matching ID:
  PubChem CID: 76959818
  ChEBI ID: CHEBI:135560
  CAS Number: 35080-11-6
  DrugBank ID: DB13555
  INTEDE ID: DR1319

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 2D6 (CYP2D6) Main DME	DECB0K3	CP2D6_HUMAN	Substrate	[1]

References

• [1] Pharmacokinetics of N-propylajmaline in relation to polymorphic sparteine oxidation. Klin Wochenschr. 1985 Nov 15;63(22):1180-6.