CAS
93104-84-8 Purity
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93104-84-8 Purity
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Desmethoxy gatifloxacin trifluoroacetate
CAS
93107-32-5
Catalog Number
ACM93107325
Category
Other Products
Molecular Weight
459.39
Molecular Formula
C20H21F4N3O5
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Specification
Synonyms
1-Cyclopropyl-6-fluoro-1,4-dihydro-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic Acid Trifluoroacetate; AM 1121; CNV 8912; CNV 97100; ITV 8912;
IUPAC Name
1-cyclopropyl-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
Canonical SMILES
CC1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F
InChI Key
DYRWTUITSIYILW-UHFFFAOYSA-N
Boiling Point
577.9ºC at 760 mmHg
Melting Point
233-235ºC
Flash Point
303.3ºC
Density
1.399g/cm³
Appearance
Off-White to Pale Yellow Solid
Exact Mass
345.14900
H-Bond Acceptor
7
H-Bond Donor
2
What is the molecular formula of Desmethoxy gatifloxacin trifluoroacetate?
The molecular formula of Desmethoxy gatifloxacin trifluoroacetate is C20H21F4N3O5.
What is the molecular weight of Desmethoxy gatifloxacin trifluoroacetate?
The molecular weight of Desmethoxy gatifloxacin trifluoroacetate is 459.4 g/mol.
What is the IUPAC name of Desmethoxy gatifloxacin trifluoroacetate?
The IUPAC name of Desmethoxy gatifloxacin trifluoroacetate is 1-cyclopropyl-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;2,2,2-trifluoroacetic acid.
What is the InChI of Desmethoxy gatifloxacin trifluoroacetate?
The InChI of Desmethoxy gatifloxacin trifluoroacetate is InChI=1S/C18H20FN3O3.C2HF3O2/c1-10-8-21(5-4-20-10)16-7-15-12(6-14(16)19)17(23)13(18(24)25)9-22(15)11-2-3-11;3-2(4,5)1(6)7/h6-7,9-11,20H,2-5,8H2,1H3,(H,24,25);(H,6,7).
What is the InChIKey of Desmethoxy gatifloxacin trifluoroacetate?
The InChIKey of Desmethoxy gatifloxacin trifluoroacetate is URJUNYOPXJPQGS-UHFFFAOYSA-N.
What is the Canonical SMILES of Desmethoxy gatifloxacin trifluoroacetate?
The Canonical SMILES of Desmethoxy gatifloxacin trifluoroacetate is CC1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F.C(=O)(C(F)(F)F)O.
How many hydrogen bond donor counts are there in Desmethoxy gatifloxacin trifluoroacetate?
There are 3 hydrogen bond donor counts in Desmethoxy gatifloxacin trifluoroacetate.
How many hydrogen bond acceptor counts are there in Desmethoxy gatifloxacin trifluoroacetate?
There are 12 hydrogen bond acceptor counts in Desmethoxy gatifloxacin trifluoroacetate.
How many rotatable bond counts are there in Desmethoxy gatifloxacin trifluoroacetate?
There are 3 rotatable bond counts in Desmethoxy gatifloxacin trifluoroacetate.
Is Desmethoxy gatifloxacin trifluoroacetate a canonicalized compound?
Yes, Desmethoxy gatifloxacin trifluoroacetate is a canonicalized compound according to PubChem.
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