Home >> Chemicals Listing >> hot product list by S  

Sitaxsentan sodium (210421-74-2)

Identification
Name:Sitaxsentan sodium
Synonyms:Sodium (4-chloro-3-methyl-1,2-oxazol-5-yl)-[2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophen-3-yl]sulfonylazanide
CAS:210421-74-2
Molecular Formula: C18H14ClN2NaO6S2
Molecular Weight: 476.89
InChI: InChI=1/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/rC18H14ClN2NaO6S2/c1-9-5-13-14(27-8-26-13)7-11(9)6-12(23)17-15(3-4-29-17)30(24,25)21(22)18-16(19)10(2)20-28-18/h3-5,7H,6,8H2,1-2H3
Molecular Structure: (C18H14ClN2NaO6S2) Sodium (4-chloro-3-methyl-1,2-oxazol-5-yl)-[2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophen-3-yl...
Properties
Specification:

The?Sitaxsentan sodium,?with cas registry number?210421-74-2,?has the systematic name of?[(4-chloro-3-methyl-isoxazol-5-yl)-[[2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]-3-thienyl]sulfonyl]amino]sodium. And its IUPAC name is?N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide; sodium.

Physical properties about this chemical are:??(1)#H bond acceptors: 8; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 7; (4)Polar Surface Area: 135.56??2.

You can still convert the following datas into molecular structure:?
(1)SMILES: Cc1cc2c(cc1CC(=O)c3c(ccs3)S(=O)(=O)N(c4c(c(no4)C)Cl)[Na])OCO2
(2)InChI: InChI=1/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/rC18H14ClN2NaO6S2/c1-9-5-13-14(27-8-26-13)7-11(9)6-12(23)17-15(3-4-29-17)30(24,25)21(22)18-16(19)10(2)20-28-18/h3-5,7H,6,8H2,1-2H3
(3)InChIKey: MDTNUYUCUYPIHE-GLHPLFALAM
(4)Std. 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
(5)Std. InChIKey: MDTNUYUCUYPIHE-UHFFFAOYSA-N

Safety Data
 

Other Product