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Substance Name: Estradiol 17-dihydrotrigonelline
RN: 103562-82-9
UNII: C05R6FO70O
InChIKey: KTMLJZFJHDUEAU-BZDYCCQFSA-N

Note

  • Lipophilic dihydropyridine coupled estradiol; chemical system for delivery to central nervous system.

Molecular Formula

  • C25-H31-N-O3

Molecular Weight

  • 393.524
 
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Names and Synonyms

Name of Substance

  • Estradiol 17-dihydrotrigonelline

Synonyms

  • (3-Hydroxy-17-((1-methyl-1,4-dihydropyridin-3-yl)carbonyl)oxy)estra-1,3,5(10)-triene
  • Cds-E2
  • Estradiol chemical delivery system
  • UNII-C05R6FO70O

Systematic Name

  • Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 17-(1,4-dihydro-1-methyl-3-pyridinecarboxylate)

Registry Numbers

CAS Registry Number

  • 103562-82-9

FDA UNII

  • C05R6FO70O

System Generated Number

  • 0103562829

Structure Descriptors

InChI

1S/C25H31NO3/c1-25-12-11-20-19-8-6-18(27)14-16(19)5-7-21(20)22(25)9-10-23(25)29-24(28)17-4-3-13-26(2)15-17/h3,6,8,13-15,20-23,27H,4-5,7,9-12H2,1-2H3/t20-,21-,22+,23+,25+/m1/s1

InChIKey

KTMLJZFJHDUEAU-BZDYCCQFSA-N

Smiles

c1cc2[C@@H]3[C@@H](CCc2cc1O)[C@@H]1CC[C@@H]([C@@]1(C)CC3)OC(=O)C1=CN(C=CC1)C