Adenopterin

Base Information

• Chemical Name: Adenopterin
• CAS No.: 751-44-0
• Molecular Formula: C21H24N8O5
• Molecular Weight: 468.46586
• UNII: 66YR461LC9
• DSSTox Substance ID: DTXSID10948545
• Nikkaji Number: J17.044E
• Wikidata: Q27264041
• ChEMBL ID: CHEMBL455689
• Mol file: 751-44-0.mol

Synonyms:A-Denopterin;Adenopterin;25663-23-4;L-Glutamic acid, N-(4-((1-(2,4-diamino-6-pteridinyl)ethyl)methylamino)benzoyl)-;66YR461LC9;(2S)-2-[[4-[1-(2,4-diaminopteridin-6-yl)ethyl-methylamino]benzoyl]amino]pentanedioic acid;751-44-0;UNII-66YR461LC9;ADENOPTERI;NSC 107134;4-Amino-9,10-dimethyl pteroylglutamic acid;A-DENOPTERIN [MI];CHEMBL455689;SCHEMBL19209757;DTXSID10948545;AKOS040750139;Glutamic acid, N-(p-((1-(2,4-diamino-6-pteridinyl)ethyl)methylamino)benzoyl)-, L-;Q27264041;N-(4-{[1-(4-Amino-2-imino-2,3-dihydropteridin-6-yl)ethyl](methyl)amino}benzoyl)glutamic acid

Chemical Property of Adenopterin

Chemical Property:

• PSA: 210.54000
• Density: 1.496g/cm³
• LogP: 2.38270
• XLogP3: -1.4
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 9
• Exact Mass: 468.18696590
• Heavy Atom Count: 34
• Complexity: 734

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CN=C2C(=N1)C(=NC(=N2)N)N)N(C)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O
• Isomeric SMILES: CC(C1=CN=C2C(=N1)C(=NC(=N2)N)N)N(C)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O