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Substance Name: Droloxifene citrate [USAN]
RN: 97752-20-0
UNII: 6KM138NW4B
InChIKey: GTJXPMSTODOYNP-BTKVJIOYSA-N

Classification Codes

  • Antineoplastic
  • Tumor Data

Molecular Formula

  • C26-H29-N-O2.C6-H8-O7

Molecular Weight

  • 579.642
 
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Names and Synonyms

Name of Substance

  • Droloxifene citrate
  • Droloxifene citrate [USAN]

Synonyms

  • (E)-1-(4'-(2-Dimethylaminoethoxy)phenyl)-1-(3-hydroxyphenyl)-2-phenylbut-1-ene citrate
  • (E)-alpha-(p-(2-(Dimethylamino)ethoxy)phenyl)-alpha'-ethyl-3-stilbenol citrate (1:1) (salt)
  • (E)-alpha-(para-(2-(Dimethylamino)ethoxy)phenyl)-alpha'-ethyl-3-stilbenol citrate (IUPAC)
  • 3-Hydroxytamoxifen citrate
  • Droloxifene citrate
  • EINECS 307-782-5
  • Phenol, 3-(1-(4-(2-(dimethylamino)ethoxy)phenyl)-2-phenyl-1-butenyl)-, (E)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (salt)
  • trans-1-(4-beta-Dimethylaminoethoxyphenyl)-1-(3-hydroxyphenyl)-2-phenylbut-1-ene citrate
  • UNII-6KM138NW4B

Systematic Names

  • (E)-(2-(4-(1-(3-Hydroxyphenyl)-2-phenylbut-1-enyl)phenoxy)ethyl)dimethylammonium dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate
  • Phenol, 3-(1-(4-(2-(dimethylamino)ethoxy)phenyl)-2-phenyl-1-butenyl)-, (E)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (salt)

Superlist Name

  • Droloxifene citrate

Registry Numbers

CAS Registry Number

  • 97752-20-0

FDA UNII

  • 6KM138NW4B

System Generated Number

  • 0097752200

Molecular Formulas

Molecular Formula

  • C26-H29-N-O2.C6-H8-O7

Molecular Formula Fragments

  • C26-H29-N-O2
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C26H29NO2.C6H8O7/c1-4-25(20-9-6-5-7-10-20)26(22-11-8-12-23(28)19-22)21-13-15-24(16-14-21)29-18-17-27(2)3;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-16,19,28H,4,17-18H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b26-25+;

InChIKey

GTJXPMSTODOYNP-BTKVJIOYSA-N

Smiles

C(=C(/c1ccccc1)CC)(\c1ccc(OCCN(C)C)cc1)c1cc(ccc1)O.C(CC(O)=O)(CC(O)=O)(C(O)=O)O