189197-69-1
Product Name:
RO 48-8071
Formula:
C23H27BrFNO2.C4H4O4
Synonyms:
4ʹ-(6-(Allylmethylamino)hexyloxy)-4-bromo-2ʹ-fluorobenzophenone, fumarate;OSC Inhibitor, Ro 48-8071 - CAS 189197-69-1 - Calbiochem
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 564.4 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 14 |
| Exact Mass | 563.13188 g/mol |
| Monoisotopic Mass | 563.13188 g/mol |
| Topological Polar Surface Area | 104 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 587 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Ro 48-8071 fumarate is a fumarate salt obtained by combining Ro 48-8071 with one molar equivalent of fumaric acid. An inhibitor of lanosterol synthase. It has a role as an EC 5.4.99.7 (lanosterol synthase) inhibitor and an antineoplastic agent. It contains a fumarate(1-) and a Ro 48-8071(1+).