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As1842856

CAS No.:
836620-48-5
Catalog Number:
AG00G7DH
Molecular Formula:
C18H22FN3O3
Molecular Weight:
347.3840
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$93
- +
5mg
98%
1 week
United States
$140
- +
10mg
98%
1 week
United States
$173
- +
50mg
98%
1 week
United States
$321
- +
100mg
98%
1 week
United States
$460
- +
200mg
98%
1 week
United States
$737
- +
500mg
98%
1 week
United States
$1418
- +
Product Description
Catalog Number:
AG00G7DH
Chemical Name:
As1842856
CAS Number:
836620-48-5
Molecular Formula:
C18H22FN3O3
Molecular Weight:
347.3840
MDL Number:
MFCD30718173
IUPAC Name:
5-amino-7-(cyclohexylamino)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
InChI:
InChI=1S/C18H22FN3O3/c1-2-22-9-11(18(24)25)17(23)14-13(22)8-12(15(19)16(14)20)21-10-6-4-3-5-7-10/h8-10,21H,2-7,20H2,1H3,(H,24,25)
InChI Key:
MOMCHYGXXYBDCD-UHFFFAOYSA-N
SMILES:
CCn1cc(C(=O)O)c(=O)c2c1cc(NC1CCCCC1)c(c2N)F
Properties
Complexity:
562  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.165g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
347.39g/mol
Monoisotopic Mass:
347.165g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
95.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Literature
Title Journal
Induction of HO-1 by carbon monoxide releasing molecule-2 attenuates thrombin-induced COX-2 expression and hypertrophy in primary human cardiomyocytes. Toxicology and applied pharmacology 20151201
Discovery of novel forkhead box O1 inhibitors for treating type 2 diabetes: improvement of fasting glycemia in diabetic db/db mice. Molecular pharmacology 20101101
Properties