Pazufloxacin methanesulfonate

C17H19FN2O7SCAS 163680-77-1414.40 g/mol

Open in Covalent MOL file
SOOHOONH2FOOOHN
Aryl halideCarboxylic acidEtherPrimary amineSulfonic acid

Properties

Molecular formula
C17H19FN2O7S
Molar mass
414.40 g/mol
Exact mass
414.0897 Da
Melting point
258–259 °C (decomposes)
logP
1.24Crippen estimate
Polar surface area
148.9 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
2
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
163680-77-1
SMILES
CS(=O)(=O)O.C[C@H]1COc2c(C3(N)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23
InChIKey
UDHGFPATQWQARM-FJXQXJEOSA-N
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • 7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 10-(1-aminocyclopropyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-, (3S)-, methanesulfonate (1:1)
  • 7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 10-(1-aminocyclopropyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-, (S)-, monomethanesulfonate
  • 7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 10-(1-aminocyclopropyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-, (3S)-, monomethanesulfonate
  • T 3762
  • Pazufloxacin mesilate
  • Pasil
  • Pazucross
  • Pazufloxacin mesylate

Work with Pazufloxacin methanesulfonate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Methanesulfonic acid75-75-2Free acid Pazufloxacin127045-41-4Free base Dihydroergotamine mesylate6190-39-2Salt Doxazosin mesylate77883-43-3Salt Deferoxamine mesylate138-14-7Salt Benztropine mesylate132-17-2Salt Tricaine methanesulfonate886-86-2Salt Bromocriptine mesylate22260-51-1Salt Almitrine bismesylate29608-49-9Salt Gabexate mesilate56974-61-9Salt Imatinib mesylate220127-57-1Salt Phentolamine methanesulfonate65-28-1Salt

Similar compounds

Levofloxacin Q-acid100986-89-863 % similar 8,9-Difluoro-3-methyl-6-oxo-2,3-dihydro-6H-1-oxa-3a-aza-phenalene-5-carboxylic acid82419-35-063 % similar Levofloxacin100986-85-456 % similar N-Desmethyl levofloxacin117707-40-156 % similar Ofloxacin82419-36-156 % similar Ofloxacin hydrochloride118120-51-754 % similar Levofloxacin hydrate138199-71-054 % similar Levofloxacin hydrochloride177325-13-254 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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