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210353-53-0 | 1,8-Naphthyridine-3-carboxylic acid, 7-[(4Z)-3-(aminomethyl)-4-(methoxyimino)-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-, monomethanesulfonate
CAS No: 210353-53-0 Catalog No: AG002KPO MDL No:MFCD08277637
Product Description
Catalog Number:
AG002KPO
Chemical Name:
1,8-Naphthyridine-3-carboxylic acid, 7-[(4Z)-3-(aminomethyl)-4-(methoxyimino)-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-, monomethanesulfonate
CAS Number:
210353-53-0
Molecular Formula:
C19H24FN5O7S
Molecular Weight:
485.4866
MDL Number:
MFCD08277637
IUPAC Name:
7-[(4E)-3-(aminomethyl)-4-methoxyiminopyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;methanesulfonic acid
InChI:
InChI=1S/C18H20FN5O4.CH4O3S/c1-28-22-14-8-23(6-9(14)5-20)17-13(19)4-11-15(25)12(18(26)27)7-24(10-2-3-10)16(11)21-17;1-5(2,3)4/h4,7,9-10H,2-3,5-6,8,20H2,1H3,(H,26,27);1H3,(H,2,3,4)/b22-14-;
InChI Key:
JIYMVSQRGZEYAX-YDHFHHHVSA-N
SMILES:
CS(=O)(=O)O.NCC1CN(C/C/1=N\OC)c1nc2c(cc1F)c(=O)c(cn2C1CC1)C(=O)O
Properties
Complexity:
817
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
485.138g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
485.487g/mol
Monoisotopic Mass:
485.138g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
184A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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