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Substance Name: Dyphylline nicotinate
RN: 80181-40-4
InChIKey: BOCRQEFIMUCXEE-UHFFFAOYSA-N

Molecular Formula

  • C16-H17-N5-O5

Molecular Weight

  • 359.34
 
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Names and Synonyms

Name of Substance

  • Dyphylline nicotinate

Synonym

  • Diprophylline nicotinate

Systematic Name

  • 3-Pyridinecarboxylic acid, 2-hydroxy-3-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)propyl ester

Registry Numbers

CAS Registry Number

  • 80181-40-4

System Generated Number

  • 0080181404

Structure Descriptors

InChI

1S/C16H17N5O5/c1-19-13-12(14(23)20(2)16(19)25)21(9-18-13)7-11(22)8-26-15(24)10-4-3-5-17-6-10/h3-6,9,11,22H,7-8H2,1-2H3

InChIKey

BOCRQEFIMUCXEE-UHFFFAOYSA-N

Smiles

c1c(cccn1)C(=O)OC[C@@H](Cn1cnc2n(c(n(c(c12)=O)C)=O)C)O