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63949-98-4

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Basic Information
CAS No.: 63949-98-4
Name: propanoate, 2-[[4-[[(2,8-diamino-6-pteridiniumyl)methyl]amino]benzoyl]amino]-, sodium salt (1:1)
Molecular Structure:
Molecular Structure of 63949-98-4 (propanoate, 2-[[4-[[(2,8-diamino-6-pteridiniumyl)methyl]amino]benzoyl]amino]-, sodium salt (1:1))
Formula: C17H18 N8 O3 . Na
Molecular Weight: 403.40
Synonyms: DL-Alanine,N-[4-[[(2,4-diamino-6-pteridinyl)methyl]amino]benzoyl]-, monosodium salt
Density: g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
Safety: Moderately toxic by parenteral route. When heated to decomposition it emits toxic vapors of NOx.
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  • Alanine,N-[4-[[(2,4-diamino-6-pteridinyl)methyl]amino]benzoyl]-, monosodium salt (9CI)

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    63949-98-4

    Alanine,N-[4-[[(2,4-diamino-6-pteridinyl)methyl]amino]benzoyl]-, monosodium salt (9CI)

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Chemistry

Empirical Formula of DL-N-(p-((2,4-Diamino-6-pteridylmethyl)amino)benzoyl)alanine sodium salt (CAS NO.63949-98-4): C17H18N8NaO3
Molecular Weight: 405.3658
Structure of DL-N-(p-((2,4-Diamino-6-pteridylmethyl)amino)benzoyl)alanine sodium salt (CAS NO.63949-98-4):
                        
IUPAC Name: Sodium 2-[[4-[(2,8-diaminopteridin-8-ium-6-yl)methylamino]benzoyl] amino]propanoate
Canonical SMILES: CC(C(=O)[O-])NC(=O)C1=CC=C(C=C1)NCC2=NC3=CN=C(N=C3[N+](=C2)N)N.[Na+]
InChI: InChI=1S/C17H18N8O3.Na/c1-9(16(27)28)22-15(26)10-2-4-11(5-3-10)20-6-12-8-25(19)14-13(23-12)7-21-17(18)24-14;/h2-5,7-9,18H,6,19H2,1H3,(H3,20,22,26,27,28);/q;+1
InChIKey: UIUZYAJLNHCXQI-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

par-mus LDLo:500 mg/kg

     CBCCT*    “Summary Tables of Biological Tests“ National Research Council Chemical-Biological Coordination Center. 7 (1955),685.

Safety Profile

Moderately toxic by parenteral route. When heated to decomposition DL-N-(p-((2,4-Diamino-6-pteridylmethyl)amino)benzoyl)alanine sodium salt (CAS NO.63949-98-4) emits toxic vapors of NOx.

Specification

 DL-N-(p-((2,4-Diamino-6-pteridylmethyl)amino)benzoyl)alanine sodium salt , its cas register number is 63949-98-4. It also can be called DL-Alanine, N-(4-(((2,4-diamino-6-pteridinyl)methyl)amino)benzoyl)-, monosodium salt ; and Alanine, N-(p-((2,4-diamino-6-pteridylmethyl)amino)benzoyl)-, sodium salt, DL- .