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A 71497

CAT: 0931-T26436-03Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T26436-03Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
134762-03-1
Target
Others, Antibiotic
Related Pathways
Microbiology/Virology, Others
Bioactivity
A 71497 is the 3-formyl derivative of the antibiotic tosufloxacin.
Smiles
Cl.O=CC1=CN(C2=NC(=C(F)C=C2C1=O)N3CCC(N)C3)C4=CC=C(F)C=C4F
Molecular Formula
C19H16ClF3N4O2
Molecular Weight
424.8
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

A 71497

structure given in first source

CAS Number134762-03-1
PubChem CID131817
IUPAC Name7-(3-aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carbaldehyde;hydrochloride
Molecular FormulaC19H16ClF3N4O2
Molecular Weight424.8
Topological Polar Surface Area79.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity663
SMILES
C1CN(CC1N)C2=C(C=C3C(=O)C(=CN(C3=N2)C4=C(C=C(C=C4)F)F)C=O)F.Cl
InChI
InChI=1S/C19H15F3N4O2.ClH/c20-11-1-2-16(14(21)5-11)26-7-10(9-27)17(28)13-6-15(22)19(24-18(13)26)25-4-3-12(23)8-25;/h1-2,5-7,9,12H,3-4,8,23H2;1H
InChIKey
UQBUZDRNWMGDOY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of A 71497
CAS: 134762-03-1
CID: 131817
Formula: C19H16ClF3N4O2
MW: 424.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight424.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass424.0913879
Monoisotopic Mass424.0913879
Topological Polar Surface Area79.5 Ų
Heavy Atom Count29
Formal Charge0
Complexity663
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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T2610L-01BMS-599626 2HCL (714971-09-2 Free base)

Alternative Products

CatalogName
GTR19198417-01A 71497
HY-122309A-71497

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