1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-β,δ-dihydroxy-4-[[(2-hydroxyphenyl)amino]carbonyl]-5-(1-methylethyl)-3-phenyl-, sodium salt, hydrate (1:1:2), (βR,δR)-

CAS Registry Number®

1421760-64-6

CAS Name

1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-β,δ-dihydroxy-4-[[(2-hydroxyphenyl)amino]carbonyl]-5-(1-methylethyl)-3-phenyl-, sodium salt, hydrate (1:1:2), (βR,δR)-

Molecular Formula

C33H35FN2O6.2H2O.Na

Cite this Page

1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-β,δ-dihydroxy-4-[[(2-hydroxyphenyl)amino]carbonyl]-5-(1-methylethyl)-3-phenyl-, sodium salt, hydrate (1:1:2), (βR,δR)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1421760-64-6 (retrieved 2024-11-22) (CAS RN: 1421760-64-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C33H35FN2O6.Na.2H2O/c1-20(2)31-30(33(42)35-26-10-6-7-11-27(26)39)29(21-8-4-3-5-9-21)32(22-12-14-23(34)15-13-22)36(31)17-16-24(37)18-25(38)19-28(40)41;;;/h3-15,20,24-25,37-39H,16-19H2,1-2H3,(H,35,42)(H,40,41);;2*1H2/t24-,25-;;;/m1.../s1

InChIKey

InChIKey=FKNHWXQDRWVDJC-ZDASDOCVSA-N

SMILES

C(NC1=C(O)C=CC=C1)(=O)C=2C(=C(N(CC[C@H](C[C@H](CC(O)=O)O)O)C2C(C)C)C3=CC=C(F)C=C3)C4=CC=CC=C4.[Na].O

Canonical SMILES

[Na].O=C(O)CC(O)CC(O)CCN1C(C=2C=CC(F)=CC2)=C(C=3C=CC=CC3)C(C(=O)NC=4C=CC=CC4O)=C1C(C)C.O

Other Names for this Substance

  • 1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-β,δ-dihydroxy-4-[[(2-hydroxyphenyl)amino]carbonyl]-5-(1-methylethyl)-3-phenyl-, sodium salt, hydrate (1:1:2), (βR,δR)-

CAS INSIGHTSTM
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