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Ciprofloxacin-D8 HCl

CAT: 1134-ESS0309-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1134-ESS0309-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1216659-54-9
Structure Composition
C 54.33% H 2.95% Cl 9.43% F 5.05% N 11.18% O 12.77% D 4.29%
Synonyms
1-Cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7- (1-piperazinyl-d8) -3-quinolinecarboxylic Acid Hydrochloride; Bay q 3939-d8 Hydrochloride
UDF Signal Word
NONE
Hazard Statement
Not dangerous goods.
Applications
Labelled analog of Ciprofloxacin Hydrochloride
Molecular Formula
C17H11ClFN3O3D8
Molecular Weight
375.85892000000007
Packaging Group
Not Available. Not dangerous goods.
Shipping Conditions
Room temerature
Storage Conditions
Freezer @ -20ºC
Hazardous Class
Not dangerous goods.

Chemical Information

1-Cyclopropyl-6-fluoro-4-oxo-7-((2,2,3,3,5,5,6,6-~2~H_8_)piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid--hydrogen chloride (1/1)
CAS Number1216659-54-9
PubChem CID49849586
IUPAC Name1-cyclopropyl-6-fluoro-7-(2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;hydrochloride
Molecular FormulaC17H19ClFN3O3
Molecular Weight375.8
Topological Polar Surface Area72.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity571
SMILES
[2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F)([2H])[2H])[2H].Cl
InChI
InChI=1S/C17H18FN3O3.ClH/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24;/h7-10,19H,1-6H2,(H,23,24);1H/i3D2,4D2,5D2,6D2;
InChIKey
DIOIOSKKIYDRIQ-JCYLEXHWSA-N
Chemical Structure
2D Structure
2D structure of 1-Cyclopropyl-6-fluoro-4-oxo-7-((2,2,3,3,5,5,6,6-~2~H_8_)piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid--hydrogen chloride (1/1)
CAS: 1216659-54-9
CID: 49849586
Formula: C17H19ClFN3O3
MW: 375.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight375.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass375.1601113
Monoisotopic Mass375.1601113
Topological Polar Surface Area72.9 Ų
Heavy Atom Count25
Formal Charge0
Complexity571
Isotope Atom Count8
Defined Atom Stereocenter Count0
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

CatalogName
HY-B0356S1Ciprofloxacin-d8
C5074-01Ciprofloxacin-d8, Hydrochloride
HY-B0356S-01Ciprofloxacin-d8 (hydrochloride)
TRC-C482502-50MGCiprofloxacin-d8 Hydrochloride
AR-C02937-01Ciprofloxacin-d8 HCl
CS-O-49712N-Nitroso Ciprofloxacin-d8
458905N-Ethoxycarbonyl-ciprofloxacin-d8
HY-B0356AS-01Ciprofloxacin-d8 (hydrochloride hydrate)
HY-B0356BS-01Ciprofloxacin-d8 (hydrochloride monohydrate)
sc-500852Ciprofloxacin-d8 β-D-Glucuronide

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