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Baquiloprim-d6

CAT: 0804-HY-19581S-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-19581S-01Size:5 mg
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Description
Baquiloprim-d6 is deuterium labeled Baquiloprim. Baquiloprim, an antibiotic, is a selective inhibitor of bacterial dihydrofolate reductases. Baquiloprim possesses in vitro bacteriostatic activity against both Gram-negative and Gram-positive bacteria[1][2].
CAS Number
1228182-50-0
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Antibiotic; Bacterial; Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Anti-infection; Others
Applications
COVID-19-immunoregulation
Field of Research
Infection
Solubility
10 mM in DMSO
Smiles
[2H]C([2H])([2H])N(C([2H])([2H])[2H])C(C(N=CC=C1)=C1C(CC2=CN=C(N)N=C2N)=C3)=C3C
Molecular Formula
C17H14D6N6
Molecular Weight
314.42
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216.|[2]Lewicki J, et, al. Oral bioavailability and pharmacokinetics of baquiloprim in dwarf goats. Res Vet Sci. 1995 May;58 (3) :268-71.|[3]White DG, et, al. Comparison of danofloxacin with baquiloprim/sulphadimidine for the treatment of experimentally induced Escherichia coli diarrhoea in calves. Vet Rec. 1998 Sep 5;143 (10) :273-6.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Baquiloprim-d6
CAS Number1228182-50-0
PubChem CID71312530
IUPAC Name5-[[8-[bis(trideuteriomethyl)amino]-7-methylquinolin-5-yl]methyl]pyrimidine-2,4-diamine
Molecular FormulaC17H20N6
Molecular Weight314.42
XLogP2.2
Topological Polar Surface Area94
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity389
SMILES
[2H]C([2H])([2H])N(C1=C2C(=C(C=C1C)CC3=CN=C(N=C3N)N)C=CC=N2)C([2H])([2H])[2H]
InChI
InChI=1S/C17H20N6/c1-10-7-11(8-12-9-21-17(19)22-16(12)18)13-5-4-6-20-14(13)15(10)23(2)3/h4-7,9H,8H2,1-3H3,(H4,18,19,21,22)/i2D3,3D3
InChIKey
AIOWJIMWVFWROP-XERRXZQWSA-N
Chemical Structure
2D Structure
2D structure of Baquiloprim-d6
CAS: 1228182-50-0
CID: 71312530
Formula: C17H20N6
MW: 314.42
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data

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