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Sitaxsentan sodium

CAS No.:
210421-74-2
Catalog Number:
AG002KRR
Molecular Formula:
C18H15ClN2NaO6S2
Molecular Weight:
477.8943
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$154
- +
10mg
98%
1 week
United States
$223
- +
50mg
98%
1 week
United States
$612
- +
100mg
98%
1 week
United States
$1015
- +
Product Description
Catalog Number:
AG002KRR
Chemical Name:
Sitaxsentan sodium
CAS Number:
210421-74-2
Molecular Formula:
C18H15ClN2NaO6S2
Molecular Weight:
477.8943
MDL Number:
MFCD11040990
IUPAC Name:
sodium;(4-chloro-3-methyl-1,2-oxazol-5-yl)-[2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophen-3-yl]sulfonylazanide
InChI:
InChI=1S/C18H14ClN2O6S2.Na/c1-9-5-13-14(26-8-25-13)7-11(9)6-12(22)17-15(3-4-28-17)29(23,24)21-18-16(19)10(2)20-27-18;/h3-5,7H,6,8H2,1-2H3;/q-1;+1
InChI Key:
MDTNUYUCUYPIHE-UHFFFAOYSA-N
SMILES:
O=C(c1sccc1S(=O)(=O)Nc1onc(c1Cl)C)Cc1cc2OCOc2cc1C.[Na]
EC Number:
606-692-6
UNII:
6V9JH46E20
Properties
Complexity:
726  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
475.988g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
476.878g/mol
Monoisotopic Mass:
475.988g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties