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Pazufloxacin-d4 Mesylate

CAT: 0572-TRC-P211002-75MGSize: 75 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P211002-75MGSize:75 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1346602-97-8
Synonyms
(3S)-10-(1-Aminocyclopropyl-d4)-9-fluror-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic Acid Methanesulfonate; Pasil-d4; Pazucross-d4; Pazufloxacin-d4 Mesilate; Pazufloxacin-d4 Methanesulfonate; T 3762-d4;
Hazard Statement
Harmful if swallowed
Smiles
FC1=CC2=C3N(C=C(C2=O)C(O)=O)[C@H](COC3=C1C4(N)C([2H])(C4([2H])[2H])[2H])C.O=S(O)(C)=O
Molecular Formula
C16H11D4FN2O4 • CH4O3S
Molecular Weight
418.43
InChI
InChI=1S/C16H15FN2O4.CH4O3S/c1-7-6-23-14-11(16(18)2-3-16)10(17)4-8-12(14)19(7)5-9(13(8)20)15(21)22;1-5(2,3)4/h4-5,7H,2-3,6,18H2,1H3,(H,21,22);1H3,(H,2,3,4)/t7-;/m0./s1/i2D2,3D2;
Additionnal Information
IUPAC name: (S)-10-(1-aminocyclopropyl-2,2,3,3-d4)-9-fluoro-3-methyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid--methanesulfonic acid (1/1)
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Pazufloxacin-d4 Mesylate
CAS Number1346602-97-8
PubChem CID131668275
IUPAC Name(2S)-6-(1-amino-2,2,3,3-tetradeuteriocyclopropyl)-7-fluoro-2-methyl-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;methanesulfonic acid
Molecular FormulaC17H19FN2O7S
Molecular Weight418.4
Topological Polar Surface Area156
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count2
Heavy Atom Count28
Formal Charge0
Complexity695
SMILES
[2H]C1(C(C1(C2=C(C=C3C4=C2OC[C@@H](N4C=C(C3=O)C(=O)O)C)F)N)([2H])[2H])[2H].CS(=O)(=O)O
InChI
InChI=1S/C16H15FN2O4.CH4O3S/c1-7-6-23-14-11(16(18)2-3-16)10(17)4-8-12(14)19(7)5-9(13(8)20)15(21)22;1-5(2,3)4/h4-5,7H,2-3,6,18H2,1H3,(H,21,22);1H3,(H,2,3,4)/t7-;/m0./s1/i2D2,3D2;
InChIKey
UDHGFPATQWQARM-ACOZDQJLSA-N
Chemical Structure
2D Structure
2D structure of Pazufloxacin-d4 Mesylate
CAS: 1346602-97-8
CID: 131668275
Formula: C17H19FN2O7S
MW: 418.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight418.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count2
Exact Mass418.11480727
Monoisotopic Mass418.11480727
Topological Polar Surface Area156 Ų
Heavy Atom Count28
Formal Charge0
Complexity695
Isotope Atom Count4
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

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sc-477886Pazufloxacin-d4 Mesylate
sc-477888Ent-Pazufloxacin-d4 Mesylate
C6713-500Pazufloxacin mesylate
HY-B0724A-01Pazufloxacin (mesylate)
HY-B0724AR-01Pazufloxacin (mesylate) (Standard)
sc-477887Ent-Pazufloxacin Mesylate
RM-P160318-01Rac Pazufloxacin Mesylate
AR-P01301-01(R) -Pazufloxacin Mesylate
HY-B0724BS-01Pazufloxacin-d4

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