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Substance Name: N(6)-2'-O-Dibutyryl-8-thiocyclic amp
RN: 34409-10-4
InChIKey: OKDBZYGQWTWGHH-KRQFVHPKSA-N

Molecular Formula

  • C18-H24-N5-O8-P-S

Molecular Weight

  • 501.455
 
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Names and Synonyms

Name of Substance

  • N(6)-2'-O-Dibutyryl-8-thiocyclic amp

Systematic Name

  • Adenosine, 7,8-dihydro-N-(1-oxobutyl)-8-thioxo-, cyclic 3',5'-(hydrogen phosphate) 2'-butanoate

Registry Numbers

CAS Registry Number

  • 34409-10-4

System Generated Number

  • 0034409104

Structure Descriptors

InChI

1S/C18H24N5O8PS/c1-3-5-10(24)21-15-12-16(20-8-19-15)23(18(33)22-12)17-14(30-11(25)6-4-2)13-9(29-17)7-28-32(26,27)31-13/h8-9,13-14,17H,3-7H2,1-2H3,(H,22,33)(H,26,27)(H,19,20,21,24)/t9-,13-,14-,17-/m1/s1

InChIKey

OKDBZYGQWTWGHH-KRQFVHPKSA-N

Smiles

O1C[C@@H]2[C@@H](O[P@@]1(=O)O)[C@H]([C@@H](O2)n1c([nH]c2c(ncnc12)NC(CCC)=O)=S)OC(CCC)=O