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Substance Name: Atrasentan hydrochloride [USAN]
RN: 195733-43-8
UNII: E4G31X93ZA
InChIKey: IJFUJIFSUKPWCZ-SQMFDTLJSA-N

Note

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

Molecular Formula

  • C29-H38-N2-O6.Cl-H

Molecular Weight

  • 547.088
 

Classification Code

  • Palliative Treatment of Bone Pain Due to Metastatic Prostate Cancer and Disease Progression (Endothelin (ETA) Receptor Antagonist)
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Names and Synonyms

Name of Substance

  • Atrasentan hydrochloride [USAN]

Synonyms

  • (2R,3R,4S)-1-((Dibutylcarbamoyl)methyl)-2-(p-methoxyphenyl)-4-(3,4-(methylenedioxy)phenyl)-3-pyrrolidinecarboxylic acid, monohydrochloride
  • 3-Pyrrolidinecarboxylic acid, 4-(1,3-benzodioxol-5-yl)-1-(2-(dibutylamino)-2-oxoethyl)-2-(4-methoxyphenyl)-, monohydrochloride, (2R-(2alpha,3beta,4alpha))
  • A 147627.1
  • A-147627.1
  • Abbot-147627
  • Abbott 147627
  • ABT-627
  • Atrasentan HCl
  • Atrasentan hydrochloride
  • UNII-E4G31X93ZA

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 195733-43-8

FDA UNII

  • E4G31X93ZA

Related Registry Number

  • 173937-91-2 (Parent)

System Generated Number

  • 0195733438

Structure Descriptors

InChI

1S/C29H38N2O6.ClH/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);1H/t23-,27-,28+;/m1./s1

InChIKey

IJFUJIFSUKPWCZ-SQMFDTLJSA-N

Smiles

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