Details of the Drug Metabolite (DM)

General Information of Drug Metabolite (DM) (ID: DM020055)
DM Name
Fludarabine
Synonyms
AG-2000 free base|111712-15-3|UNII-7EMR32786O|Lansoprazole sulfenamide active metabolite|7EMR32786O|4-methyl-3-(2,2,2-trifluoroethoxy)-5H-benzo[4,5]imidazo[1,2-b]pyrido[1,2-d][1,2,4]thiadiazin-13-ium|DTXSID50149711|AKOS040750182|Q27268165|4-METHYL-3-(2,2,2-TRIFLUOROETHOXY)-5H-PYRIDO(1',2':4,5)(1,2,4)THIADIAZINO(2,3-A)BENZIMIDAZOL-13-IUM|5H-PYRIDO(1',2':4,5)(1,2,4)THIADIAZINO(2,3-A)BENZIMIDAZOL-13-IUM, 4-METHYL-3-(2,2,2-TRIFLUOROETHOXY)-|6-Ethyl-5-(2,2,2-trifluoroethoxy)-9-thia- 2lambda5,10,17- triazatetracyclo[8.7.0.02,7.011,16]heptadeca- 1(17),2(7),3,5,11(16),12,14-heptaen-2-ylium|6-methyl-5-(2,2,2-trifluoroethoxy)-9-thia-10,17-diaza-2-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11,13,15-heptaene
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 352.4 Topological Polar Surface Area 56.2
Heavy Atom Count 24 Rotatable Bond Count 2
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 6
PubChem CID
657237
Complexity
466
Formula
C16H13F3N3OS+
Canonical SMILES
CC1=C(C=C[N+]2=C1CSN3C2=NC4=CC=CC=C43)OCC(F)(F)F
InChI
InChI=1S/C16H13F3N3OS/c1-10-13-8-24-22-12-5-3-2-4-11(12)20-15(22)21(13)7-6-14(10)23-9-16(17,18)19/h2-7H,8-9H2,1H3/q+1
InChIKey
XOYHDVHYLZPBAO-UHFFFAOYSA-N
IUPAC name
6-methyl-5-(2,2,2-trifluoroethoxy)-9-thia-10,17-diaza-2-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11,13,15-heptaene
Full List of Drug-Metabolizing Enzyme (DME) Related to This DM
DME(s) Producing This DM through Metabolism
DME Name DME ID Reactant Reaction Related Drug REF
Alkaline phosphatase (ALP) DME1774
Fludarabine phosphate
Other reaction - Dephosphorylation Fludarabine phosphate [1]
Full List of Drug(s) That Produce This DM By Metabolism
Lapatinib ditosylate DR0917 Approved Breast cancer
Isosorbide dinitrate DR0888 Approved Anal fissure
Fludarabine phosphate DR2403 Approved Chronic lymphocytic leukaemia
AS-12141 DR2407 Phase 3 Gaucher disease
References
1 Prodrugs: design and clinical applications

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