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Reference substances

Reference substances

IUPAC name:
(2R,6S)-2-(6-benzamido-9H-purin-9-yl)-6-(hydroxymethyl)morpholin-4-ium hydrogen oxalate

Inventory

CAS number:
1138069-61-0
Synonyms
Names:
Subunit A Salt
mo(Ox)ABz
Benzamide, N-​[9-​[(2R,​6S)​-​6-​(hydroxymethyl)​-​2-​morpholinyl]​-​9H-​purin-​6-​yl]​-​, ethanedioate (1:1)

Molecular and structural information

Molecular formula:
C17 H18 N6 O3 * C2 H2 O4
Molecular weight:
444.4
SMILES notation:
C(C(O)=O)(O)=O.N(C(=O)C1=CC=CC=C1)C2=C3C(=NC=N2)[N](C=N3)[C@@H]4O[C@H](CO)CNC4
InChl:
1S/C17H18N6O3.C2H2O4/c24-8-12-6-18-7-13(26-12)23-10-21-14-15(19-9-20-16(14)23)22-17(25)11-4-2-1-3-5-11;3-1(4)2(5)6/h1-5,9-10,12-13,18,24H,6-8H2,(H,19,20,22,25);(H,3,4)(H,5,6)/t12-,13+;/m0./s1
Structural formula:
Chemical structure

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