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| Name |
Sodium N-(p-((2,4-diamino-6-pteridylmethyl)amino)benzoyl)aspartate |
EINECS | N/A |
| CAS No. | 64049-04-3 | Density | N/A |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C18H18 N8 O5 . Na | Boiling Point | N/A |
| Molecular Weight | 587.37 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | A poison by parenteral route. When heated to decomposition it emits toxic vapors of NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
N/A |
Sodium N-(p-((2,4-diamino-6-pteridylmethyl)amino)benzoyl)aspartate Chemical Properties
Molecule structure of Sodium N-(p-((2,4-diamino-6-pteridylmethyl)amino)benzoyl)aspartate (CAS NO.64049-04-3) :
IUPAC Name: sodium 2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]-4-hydroxy-4-oxobutanoate
Molecular Weight: 448.36795 g/mol
Molecular Formula: C18H17N8NaO5
H-Bond Donor: 5
H-Bond Acceptor: 12
Rotatable Bond Count: 8
Tautomer Count: 36
Exact Mass: 448.12196
MonoIsotopic Mass: 448.12196
Topological Polar Surface Area: 222
Heavy Atom Count: 32
Complexity: 665
Canonical SMILES: C1=CC(=CC=C1C(=O)NC(CC(=O)O)C(=O)[O-])NCC2=CN=C3C(=N2)C(=NC(=N3)N)N.[Na+]
InChI: InChI=1S/C18H18N8O5.Na/c19-14-13-15(26-18(20)25-14)22-7-10(23-13)6-21-9-3-1-8(2-4-9)16(29)24-11(17(30)31)5-12(27)28;/h1-4,7,11,21H,5-6H2,(H,24,29)(H,27,28)(H,30,31)(H4,19,20,22,25,26);/q;+1/p-1
InChIKey of Sodium N-(p-((2,4-diamino-6-pteridylmethyl)amino)benzoyl)aspartate (CAS NO.64049-04-3) : QFJUEGDNXSCKBV-UHFFFAOYSA-M
Sodium N-(p-((2,4-diamino-6-pteridylmethyl)amino)benzoyl)aspartate Toxicity Data With Reference
| 1. | par-mus LDLo:200 mg/kg | CBCCT* “Summary Tables of Biological Tests” National Research Council Chemical-Biological Coordination Center. 7 (1955),686. |
Sodium N-(p-((2,4-diamino-6-pteridylmethyl)amino)benzoyl)aspartate Safety Profile
A poison by parenteral route. When heated to decomposition it emits toxic vapors of NOx.
Sodium N-(p-((2,4-diamino-6-pteridylmethyl)amino)benzoyl)aspartate Specification
Sodium N-(p-((2,4-diamino-6-pteridylmethyl)amino)benzoyl)aspartate (CAS NO.64049-04-3) is also called Aspartic acid, N-(p-((2,4-diamino-6-pteridylmethyl)amino)benzoyl)-, sodium salt .
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