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CP-74667 mesylate

CAT: 0931-T31076Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T31076Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
138808-71-6
Target
Others
Related Pathways
Others
Bioactivity
CP-74667 mesylate is a bio-active chemical.
Smiles
CS(O)(=O)=O.CN1C2CCC1CN(C2)c1cc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1 |THB:14:12:6:8.9|
Molecular Formula
C21H26FN3O6S
Molecular Weight
467.51
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CP-74667 mesylate
CAS Number138808-71-6
PubChem CID71587505
IUPAC Name1-cyclopropyl-6-fluoro-7-[(1S,5R)-8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]-4-oxoquinoline-3-carboxylic acid;methanesulfonic acid
Molecular FormulaC21H26FN3O6S
Molecular Weight467.5
Topological Polar Surface Area127
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Heavy Atom Count32
Formal Charge0
Complexity773
SMILES
CN1[C@@H]2CC[C@H]1CN(C2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F.CS(=O)(=O)O
InChI
InChI=1S/C20H22FN3O3.CH4O3S/c1-22-12-4-5-13(22)9-23(8-12)18-7-17-14(6-16(18)21)19(25)15(20(26)27)10-24(17)11-2-3-11;1-5(2,3)4/h6-7,10-13H,2-5,8-9H2,1H3,(H,26,27);1H3,(H,2,3,4)/t12-,13+;
InChIKey
JXRWJBNGNIFCBX-OEEJBDNKSA-N
Chemical Structure
2D Structure
2D structure of CP-74667 mesylate
CAS: 138808-71-6
CID: 71587505
Formula: C21H26FN3O6S
MW: 467.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight467.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Exact Mass467.15263489
Monoisotopic Mass467.15263489
Topological Polar Surface Area127 Ų
Heavy Atom Count32
Formal Charge0
Complexity773
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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