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Methotrexate

CAS No.:
91431-42-4
Catalog Number:
AG00H0VM
Molecular Formula:
C16H15ClO6
Molecular Weight:
338.7397
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
99%
1 week
United States
$362
- +
5mg
99%
1 week
United States
$960
- +
Product Description
Catalog Number:
AG00H0VM
Chemical Name:
Methotrexate
CAS Number:
91431-42-4
Molecular Formula:
C16H15ClO6
Molecular Weight:
338.7397
MDL Number:
MFCD00866621
IUPAC Name:
(4-acetyloxy-6-chloro-2,3-dimethoxynaphthalen-1-yl) acetate
InChI:
InChI=1S/C16H15ClO6/c1-8(18)22-13-11-6-5-10(17)7-12(11)14(23-9(2)19)16(21-4)15(13)20-3/h5-7H,1-4H3
InChI Key:
IFWMVQUGSGWCRP-UHFFFAOYSA-N
SMILES:
COc1c(OC)c(OC(=O)C)c2c(c1OC(=O)C)ccc(c2)Cl
UNII:
WIF31Q54NJ
Properties
Complexity:
442  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.056g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.74g/mol
Monoisotopic Mass:
338.056g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
In vitro inhibition of leukotriene B4 formation by exogeneous 5-lipoxygenase inhibitors is associated with enhanced generation of 15-hydroxy-eicosatetraenoic acid (15-HETE) by human neutrophils. Archives of dermatological research 19880101
Properties