Home Halogens 3-Quinolinecarboxylic acid,7-[(7S)-7-amino-5-azaspiro[2.4]hept-5-yl]-8-chloro-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-1,4-dihydro-4-oxo-, hydrate (2:3)

3-Quinolinecarboxylic acid,7-[(7S)-7-amino-5-azaspiro[2.4]hept-5-yl]-8-chloro-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-1,4-dihydro-4-oxo-, hydrate (2:3)

CAS No.:
163253-35-8
Catalog Number:
AG00ABLR
Molecular Formula:
C38H42Cl2F4N6O9
Molecular Weight:
873.6745
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$182
- +
10mg
98%
1 week
United States
$223
- +
50mg
98%
1 week
United States
$460
- +
Product Description
Catalog Number:
AG00ABLR
Chemical Name:
3-Quinolinecarboxylic acid,7-[(7S)-7-amino-5-azaspiro[2.4]hept-5-yl]-8-chloro-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-1,4-dihydro-4-oxo-, hydrate (2:3)
CAS Number:
163253-35-8
Molecular Formula:
C38H42Cl2F4N6O9
Molecular Weight:
873.6745
MDL Number:
MFCD00903720
IUPAC Name:
7-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-8-chloro-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylic acid;hydrate
InChI:
InChI=1S/C19H18ClF2N3O3.H2O/c20-14-15-8(17(26)9(18(27)28)5-25(15)12-4-10(12)21)3-11(22)16(14)24-6-13(23)19(7-24)1-2-19;/h3,5,10,12-13H,1-2,4,6-7,23H2,(H,27,28);1H2/t10-,12+,13+;/m0./s1
InChI Key:
ANCJYRJLOUSQBW-JJZGMWGRSA-N
SMILES:
FC1CC1n1cc(C(=O)O)c(=O)c2c1c(Cl)c(N1CC(C3(C1)CC3)N)c(c2)F.FC1CC1n1cc(C(=O)O)c(=O)c2c1c(Cl)c(N1CC(C3(C1)CC3)N)c(c2)F.O.O.O
UNII:
45IP57B62B
Properties
Complexity:
761  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
427.111g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
427.833g/mol
Monoisotopic Mass:
427.111g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
87.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
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Properties