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Substance Name: Brilanestrant N-methyl-D-glucamine
RN: 1874170-91-8
UNII: 17C4BJ408U
InChIKey: WHECVDVHIHTISC-NNVWMOTJSA-N

Molecular Formula

  • C26-H20-Cl-F-N2-O2.C7-H17-N-O5

Molecular Weight

  • 642.1203
 
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Names and Synonyms

Name of Substance

  • Brilanestrant N-methyl-D-glucamine

Synonyms

  • ARN-810 N-methyl-D-glucamine salt
  • Brilanestrant N-methyl-D-glucamine
  • D-Glucitol, 1-deoxy-1-(methylamino)-, (2E)-3-(4-((1E)-2-(2-chloro-4-fluorophenyl)-1-(1H-indazol-5-yl)-1-buten-1-yl)phenyl)-2-propenoate (1:1)
  • UNII-17C4BJ408U

Registry Numbers

CAS Registry Number

  • 1874170-91-8

FDA UNII

  • 17C4BJ408U

System Generated Number

  • 1874170918

Structure Descriptors

InChI

1S/C26H20ClFN2O2.C7H17NO5/c1-2-21(22-10-9-20(28)14-23(22)27)26(18-8-11-24-19(13-18)15-29-30-24)17-6-3-16(4-7-17)5-12-25(31)32;1-8-2-4(10)6(12)7(13)5(11)3-9/h3-15H,2H2,1H3,(H,29,30)(H,31,32);4-13H,2-3H2,1H3/b12-5+,26-21+;/t;4-,5+,6+,7+/m.0/s1

InChIKey

WHECVDVHIHTISC-NNVWMOTJSA-N

Smiles

CC\C(=C(\c1ccc(\C=C\C(=O)O)cc1)/c2ccc3[nH]ncc3c2)\c4ccc(F)cc4Cl.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO