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Substance Name: Atrasentan [INN]
RN: 173937-91-2
UNII: V6D7VK2215
InChIKey: MOTJMGVDPWRKOC-QPVYNBJUSA-N

Note

  • Designed to block the action of endothelin-1; for treating metastatic hormone-refractory prostate cancer.

Molecular Formula

  • C29-H38-N2-O6

Molecular Weight

  • 510.627
 

Classification Codes

  • Endothelin Receptor Antagonists
  • Endothelin-Receptor Antagonist
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Names and Synonyms

Results Name

  • Atrasentan [INN]

Name of Substance

  • Atrasentan [INN]

Synonyms

  • (+)-A 127722
  • ABT 147627
  • ABT 627
  • ABT-627
  • Atrasentan
  • UNII-V6D7VK2215

Systematic Names

  • 3-Pyrrolidinecarboxylic acid, 4-(1,3-benzodioxo-5-yl)-1-(2-(dibutylamino)-2-oxoethyl)-2-(4-methoxyphenyl)-, (2R,3R,4S)-
  • 3-Pyrrolidinecarboxylic acid, 4-(1,3-benzodioxol-5-yl)-1-(2-dibutylamino)-2-oxoethyl)-2-(4-methoxyphenyl)-, (2R-(2alpha,3beta,4alpha))-

Registry Numbers

CAS Registry Number

  • 173937-91-2

FDA UNII

  • V6D7VK2215

System Generated Number

  • 0173937912

Structure Descriptors

InChI

1S/C29H38N2O6/c1-4-6-14-30(15-7-5-2)26(32)18-31-17-23(21-10-13-24-25(16-21)37-19-36-24)27(29(33)34)28(31)20-8-11-22(35-3)12-9-20/h8-13,16,23,27-28H,4-7,14-15,17-19H2,1-3H3,(H,33,34)/t23-,27-,28+/m1/s1

InChIKey

MOTJMGVDPWRKOC-QPVYNBJUSA-N

Smiles

C1[C@@H]([C@H]([C@@H](c2ccc(OC)cc2)[N@@]1CC(=O)N(CCCC)CCCC)C(=O)O)c1cc2c(OCO2)cc1