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Substance Name: Pentoxifylline MTPA
RN: 130007-50-0
InChIKey: UGCLXABBIBEIAJ-QRQCRPRQSA-N

Molecular Formula

  • C23-H27-F3-N4-O5

Molecular Weight

  • 496.483
 
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Names and Synonyms

Results Name

  • Pentoxifylline MTPA

Name of Substance

  • Pentoxifylline-alpha-methoxy-alpha-(trifluoromethyl)phenylacetate ester

Synonyms

  • (S-(R*,S*))-1-Methyl-5-(2,3,6,7-tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purin-1-yl)pentyl alpha-methoxy-alpha-(trifluoromethyl)benzeneacetate
  • Pentoxifylline MTPA

Systematic Name

  • Benzeneacetic acid, alpha-methoxy-alpha-(trifluoromethyl)-, 1-methyl-5-(2,3,6,7-tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purin-1-yl)pentyl ester, (S-(R*,S*))-

Registry Numbers

CAS Registry Number

  • 130007-50-0

System Generated Number

  • 0130007500

Structure Descriptors

InChI

1S/C23H27F3N4O5/c1-15(35-20(32)22(34-4,23(24,25)26)16-11-6-5-7-12-16)10-8-9-13-30-19(31)17-18(27-14-28(17)2)29(3)21(30)33/h5-7,11-12,14-15H,8-10,13H2,1-4H3/t15-,22+/m1/s1

InChIKey

UGCLXABBIBEIAJ-QRQCRPRQSA-N

Smiles

c1(ccccc1)[C@@](C(=O)O[C@@H](CCCCn1c(n(c2ncn(c2c1=O)C)C)=O)C)(C(F)(F)F)OC