19741-14-1
Product Name:
4-[N-(2,4-DIAMINO-6-PTERIDINYLMETHYL)-N-METHYLAMINO] BENZOIC ACID
Formula:
C15H15N7O2
Inquiry
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06  Health Hazard GHS08 |
| GHS Hazard Statements |
H301:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H341:Germ cell mutagenicity |
| Precautionary Statement Codes |
P202:Do not handle until all safety precautions have been read and understood. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 325.33 g/mol |
|---|---|
| XLogP3 | -1.1 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 4 |
| Exact Mass | 325.12872275 g/mol |
| Monoisotopic Mass | 325.12872275 g/mol |
| Topological Polar Surface Area | 144 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 444 |
| 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
Deoxyaminopteroic Acid is a metabolite resulting from the carboxypeptidase-mediated cleavage of methotrexate. Deoxyaminopteroic acid can be used a marker for methotrexate exposure.