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Letermovir

CAS No.:
917389-32-3
Catalog Number:
AG00GTC7
Molecular Formula:
C29H28F4N4O4
Molecular Weight:
572.5506
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$139
- +
5mg
≥98%
1 week
United States
$426
- +
10mg
≥98%
1 week
United States
$630
- +
50mg
99%
1 week
United States
$1557
- +
100mg
99%
1 week
United States
$2390
- +
Product Description
Catalog Number:
AG00GTC7
Chemical Name:
Letermovir
CAS Number:
917389-32-3
Molecular Formula:
C29H28F4N4O4
Molecular Weight:
572.5506
MDL Number:
MFCD22572725
IUPAC Name:
2-[(4S)-8-fluoro-2-[4-(3-methoxyphenyl)piperazin-1-yl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]-4H-quinazolin-4-yl]acetic acid
InChI:
InChI=1S/C29H28F4N4O4/c1-40-20-6-3-5-19(16-20)35-11-13-36(14-12-35)28-34-27-21(7-4-8-22(27)30)23(17-26(38)39)37(28)24-15-18(29(31,32)33)9-10-25(24)41-2/h3-10,15-16,23H,11-14,17H2,1-2H3,(H,38,39)/t23-/m0/s1
InChI Key:
FWYSMLBETOMXAG-QHCPKHFHSA-N
SMILES:
COc1cccc(c1)N1CCN(CC1)C1=Nc2c(F)cccc2[C@@H](N1c1cc(ccc1OC)C(F)(F)F)CC(=O)O
UNII:
1H09Y5WO1F
Properties
Complexity:
931  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
572.205g/mol
Formal Charge:
0
Heavy Atom Count:
41  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
572.561g/mol
Monoisotopic Mass:
572.205g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  
Literature
Title Journal
In vitro evaluation of the activities of the novel anticytomegalovirus compound AIC246 (letermovir) against herpesviruses and other human pathogenic viruses. Antimicrobial agents and chemotherapy 20120201
In vitro and in vivo activities of the novel anticytomegalovirus compound AIC246. Antimicrobial agents and chemotherapy 20100301
Properties