Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR1369)
Drug Name
Pseudoephedrine
Synonyms
Pseudoefedrina; Pseudoefedrina [INN-Spanish]; Pseudoephedrine (D); Pseudoephedrine d-form; Pseudoephedrinum; Pseudoephedrinum [INN-Latin]; Psi-ephedrin; Psi-ephedrine; Sudafed; d-Isoephedrine; d-Pseudoephedrine; d-psi-Ephedrine; Isoephedrine; L(+)-psi-Ephedrine; L-(+)-Pseudoephedrine; PSEUDOEPHEDRINE; trans-Ephedrine; (+)-(1S,2S)-Pseudoephedrine; (+)-Pseudoephedrine; (+)-psi-Ephedrine; (+)-threo-Ephedrine; (1S,2S)-(+)-Pseudoephedrine; (1S,2S)-Pseudoephedrine; 90-82-4; Besan; d-psi-2-Methylamino-1-phenyl-1-propanol
Indication Erythema multiforme [ICD11: EB12] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 165.23 Topological Polar Surface Area 32.299
Heavy Atom Count 12 Rotatable Bond Count 3
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
7028
PubChem SID
5721 ; 605289 ; 7980426 ; 8154627 ; 11111142 ; 11335626 ; 11360865 ; 11363772 ; 11366334 ; 11368896 ; 11372860 ; 11374901 ; 11377058 ; 11407347 ; 11461837 ; 11485101 ; 11489119 ; 11491586 ; 11492976 ; 11494692 ; 15120370 ; 24857282 ; 24883628 ; 29225939 ; 46508190 ; 47589216 ; 47736742 ; 47885640 ; 48334767 ; 48416496 ; 50026888 ; 50122789 ; 56464196 ; 57391157 ; 79710053 ; 85788938 ; 92718094 ; 93166975 ; 93623258 ; 96025135 ; 103590224 ; 104224960 ; 104313759 ; 126524245 ; 126628590 ; 126687543 ; 128443808 ; 134222123 ; 134337514 ; 134971121
ChEBI ID
ChEBI:51209
CAS Number
90-82-4
TTD Drug ID
D00HHS
Formula
C10H15NO
Canonical SMILES
CC(C(C1=CC=CC=C1)O)NC
InChI
1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10+/m0/s1
InChIKey
KWGRBVOPPLSCSI-WCBMZHEXSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Methylpseudoephedrine DM003023
7059596
Conjugation - Methylation 1 [3]
Norpseudoephedrine DM003022
441457
Oxidation - N-Desisopropylation 1 [4] , [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR002197 Pseudoephedrine Norpseudoephedrine Oxidation - N-Desisopropylation Unclear [4], [3]
MR002198 Pseudoephedrine Methylpseudoephedrine Conjugation - Methylation Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Sulfotransferase 1A1 (SULT1A1) DME0008 Homo sapiens
ST1A1_HUMAN
2.8.2.1
[2]
References
1 Pseudoephedrine was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Benzylic alcohols as stereospecific substrates and inhibitors for aryl sulfotransferase. Chirality. 1991;3(2):104-11.
3 Separation and quantitation of the stereoisomers of ephedra alkaloids in natural health products using flow injection-electrospray ionization-high field asymmetric waveform ion mobility spectrometry-mass spectrometry Anal Chem. 2003 Jun 1;75(11):2538-42. doi: 10.1021/ac0342020.
4 Elimination of ephedrines in urine following multiple dosing: the consequences for athletes, in relation to doping control Br J Clin Pharmacol. 2004 Jan;57(1):62-7. doi: 10.1046/j.1365-2125.2003.01948.x.

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