112887-68-0
Product Name:
Raltitrexed
Formula:
C21H22N4O6S
Synonyms:
L -Glutamic acid, N-((5-(((1,4-dihydro-2-methyl-4-oxo-6-quinazolinyl)methyl)methylamino)-2-thienyl)carbonyl);ICI-D-1694;ZD-1694
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Melting Point | 180-184 °C |
| Solubility | soluble |
| LogP | -1.2 |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06  Health Hazard GHS08 |
| GHS Hazard Statements |
H300:Acute toxicity,oral H360:Reproductive toxicity |
| Precautionary Statement Codes |
P201:Obtain special instructions before use. |
COMPUTED DESCRIPTORS
| Molecular Weight | 458.5 g/mol |
|---|---|
| XLogP3 | 1.4 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 9 |
| Exact Mass | 458.12600561 g/mol |
| Monoisotopic Mass | 458.12600561 g/mol |
| Topological Polar Surface Area | 177 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 790 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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
ICI D1694 is a N-acyl-amino acid.