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Substance Name: Acolbifene Hydrochloride [USAN]
RN: 252555-01-4
UNII: KXC7811DBY
InChIKey: BYQDPIXWTVEVEA-JMAPEOGHSA-N

Classification Codes

  • Anti-Estrogen
  • Prevention or Treatment of Breast and Uterine Proliferation or Cancer

Molecular Formula

  • C29-H31-N-O4.Cl-H

Molecular Weight

  • 494.028
 
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Names and Synonyms

Name of Substance

  • Acolbifene Hydrochloride [USAN]

Synonyms

  • (2S)-3-(4-Hydroxyphenyl)-4-methyl-2-(4-(2-piperidin-1-yl-ethoxy)phenyl)-2H-chromen-7-ol
  • 2H-1-Benzopyran-7-ol, 3-(4-hydroxyphenyl)-4-methyl-2-(4-(2-(1-piperidinyl)ethoxy)phenyl)-, hydrochloride, (2S)-
  • Acolbifene Hydrochloride
  • EM 652.Hydrochloride
  • SCH57068 Hydrochloride
  • SCH57068.HCl
  • UNII-KXC7811DBY

Systematic Name

  • 2H-1-Benzopyran-7-ol, 3-(4-hydroxyphenyl)-4-methyl-2-(4-(2-(1-piperidinyl)ethoxy)phenyl)-, hydrochloride, (2S)-

Registry Numbers

CAS Registry Number

  • 252555-01-4

FDA UNII

  • KXC7811DBY

Related Registry Number

  • 182167-02-8 (Acolbifene)

System Generated Number

  • 0252555014

Structure Descriptors

InChI

1S/C29H31NO4.ClH/c1-20-26-14-11-24(32)19-27(26)34-29(28(20)21-5-9-23(31)10-6-21)22-7-12-25(13-8-22)33-18-17-30-15-3-2-4-16-30;/h5-14,19,29,31-32H,2-4,15-18H2,1H3;1H/t29-;/m0./s1

InChIKey

BYQDPIXWTVEVEA-JMAPEOGHSA-N

Smiles

C=1([C@@H](Oc2c(C1C)ccc(c2)O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O.Cl