(bR,deltaS)-8-Fluoro-5,6-dihydro-b,delta-dihydroxy-4-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-benzo[h]quinazoline-6-pentanoic Acid Sodium Salt
Product Code
TRC-F591135
Product Format
Neat
Molecular Formula
C22H27FN3NaO6S
Molecular Weight
503.52
Product Categories
Alternate CAS Number
1335110-44-5; 2514620-37-0;2512204-73-6; 2125944-54-7;2125942-01-8
Purity
>95% (HPLC)
Documentation
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Product Information
Chemical Data
Analyte Name
(betaR,deltaS)-8-Fluoro-5,6-dihydro-beta,delta-dihydroxy-4-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-benzo[h]quinazoline-6-pentanoic Acid Sodium Salt
Molecular Formula
C22H27FN3NaO6S
Molecular Weight
503.52
Accurate Mass
503.15
SMILES
CS(N(C1=NC(C(C)C)=C2CC(C3=CC(F)=CC=C3C2=N1)[C@@H](O)C[C@@H](O)CC(O[Na])=O)C)(=O)=O
InChI
InChI=1S/C22H28FN3O6S.Na/c1-11(2)20-17-10-16(18(28)8-13(27)9-19(29)30)15-7-12(23)5-6-14(15)21(17)25-22(24-20)26(3)33(4,31)32;/h5-7,11,13,16,18,27-28H,8-10H2,1-4H3,(H,29,30);/q;+1/p-1/t13-,16?,18+;/m1./s1
IUPAC
sodium (3R,5S)-5-(8-fluoro-4-isopropyl-2-(N-methylmethylsulfonamido)-5,6-dihydrobenzo[h]quinazolin-6-yl)-3,5-dihydroxypentanoate
Alternate CAS Number
1335110-44-5; 2514620-37-0;2512204-73-6; 2125944-54-7;2125942-01-8
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
Purity
>95% (HPLC)
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