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Substance Name: 5'-(4-Bromomethylbenzoyl)adenosine
RN: 97143-48-1
InChIKey: QZBYYFGXZFWZRN-IKYDMHQPSA-N

Molecular Formula

  • C18-H18-Br-N5-O5

Molecular Weight

  • 464.274
 
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Names and Synonyms

Name of Substance

  • 5'-(4-Bromomethylbenzoyl)adenosine

Synonym

  • pBMBA

Systematic Name

  • Adenosine, 5'-(4-(bromomethyl)benzoate)

Registry Numbers

CAS Registry Number

  • 97143-48-1

System Generated Number

  • 0097143481

Structure Descriptors

InChI

1S/C18H18BrN5O5/c19-5-9-1-3-10(4-2-9)18(27)28-6-11-13(25)14(26)17(29-11)24-8-23-12-15(20)21-7-22-16(12)24/h1-4,7-8,11,13-14,17,25-26H,5-6H2,(H2,20,21,22)/t11-,13-,14-,17?/m1/s1

InChIKey

QZBYYFGXZFWZRN-IKYDMHQPSA-N

Smiles

n1c(c2nc[n@@](c2nc1)[C@H]1O[C@@H]([C@H]([C@H]1O)O)COC(c1ccc(cc1)CBr)=O)N