6933-26-2
Product Name:
TICARCILLIN IMPURITY A
Formula:
C13H12OS
Synonyms:
(2S,5R,6R)-3,3-Dimethyl-7-oxo-6-[[(thiophen-3-yl)acetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;Decarboxyticarcillin
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 216.30 g/mol |
|---|---|
| XLogP3 | 4.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 216.06088618 g/mol |
| Monoisotopic Mass | 216.06088618 g/mol |
| Topological Polar Surface Area | 45.3 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 221 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Decarboxytiaprofenic acid is a thiophene substituted at C-2 by benzoyl and at C-4 by an ethyl group. It has a role as an epitope and a photosensitizing agent. It is a member of thiophenes and an aromatic ketone.