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
ATC Code
C01BA08: Prajmaline
C01BA: Antiarrhythmics, class Ia
C01B: ANTIARRHYTHMICS, CLASS I AND III
C01: CARDIAC THERAPY
C: CARDIOVASCULAR SYSTEM
Structure
3D MOL 2D MOL
#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
InChI=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
InChIKey
UAUHEPXILIZYCU-ALHOSYKFSA-N
Cross-matching ID
PubChem CID
76959818
ChEBI ID
CHEMBL135560
CAS Number
35080-11-6
UNII
75934UD4GJ
DrugBank ID
DB13555
INTEDE ID
DR1319
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

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