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162829-89-2 | 4H-Quinolizine-3-carboxylic acid, 8-(3-amino-1-pyrrolidinyl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-, hydrochloride (1:1)
CAS No: 162829-89-2 Catalog No: AG001TGG MDL No:
Product Description
Catalog Number:
AG001TGG
Chemical Name:
4H-Quinolizine-3-carboxylic acid, 8-(3-amino-1-pyrrolidinyl)-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-, hydrochloride (1:1)
CAS Number:
162829-89-2
Molecular Formula:
C18H21ClFN3O3
Molecular Weight:
381.8290
IUPAC Name:
8-[(3S)-3-aminopyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid;hydrate
InChI:
InChI=1S/C18H20FN3O3.H2O/c1-9-15-12(10-2-3-10)6-13(18(24)25)17(23)22(15)8-14(19)16(9)21-5-4-11(20)7-21;/h6,8,10-11H,2-5,7,20H2,1H3,(H,24,25);1H2/t11-;/m0./s1
InChI Key:
CIZIANIUUBITCY-MERQFXBCSA-N
SMILES:
NC1CCN(C1)c1c(F)cn2c(c1C)c(cc(c2=O)C(=O)O)C1CC1.Cl
Properties
Complexity:
804
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
363.159g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
363.389g/mol
Monoisotopic Mass:
363.159g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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