4-(Benzoylamino)phenyl 3-hydroxy-2-[(2-hydroxy-2-methylheptyl)thio]-5-oxocyclopentaneheptanoate

CAS Registry Number®

67040-53-3
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CAS Name

4-(Benzoylamino)phenyl 3-hydroxy-2-[(2-hydroxy-2-methylheptyl)thio]-5-oxocyclopentaneheptanoate

Molecular Formula

C33H45NO6S

Molecular Mass

583.78

Cite this Page

4-(Benzoylamino)phenyl 3-hydroxy-2-[(2-hydroxy-2-methylheptyl)thio]-5-oxocyclopentaneheptanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=67040-53-3 (retrieved 2024-08-28) (CAS RN: 67040-53-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C33H45NO6S/c1-3-4-12-21-33(2,39)23-41-31-27(28(35)22-29(31)36)15-10-5-6-11-16-30(37)40-26-19-17-25(18-20-26)34-32(38)24-13-8-7-9-14-24/h7-9,13-14,17-20,27,29,31,36,39H,3-6,10-12,15-16,21-23H2,1-2H3,(H,34,38)

InChIKey

InChIKey=DRWKZQHXBXCXEO-UHFFFAOYSA-N

SMILES

S(CC(CCCCC)(C)O)C1C(CCCCCCC(OC2=CC=C(NC(=O)C3=CC=CC=C3)C=C2)=O)C(=O)CC1O

Canonical SMILES

O=C(OC1=CC=C(C=C1)NC(=O)C=2C=CC=CC2)CCCCCCC3C(=O)CC(O)C3SCC(O)(C)CCCCC

Other Names for this Substance

  • Cyclopentaneheptanoic acid, 3-hydroxy-2-[(2-hydroxy-2-methylheptyl)thio]-5-oxo-, 4-(benzoylamino)phenyl ester
  • 4-(Benzoylamino)phenyl 3-hydroxy-2-[(2-hydroxy-2-methylheptyl)thio]-5-oxocyclopentaneheptanoate
  • Tiprostanide