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Substance Name: 2-((6-Ethyl-11,12-dihydro-5-phenyldibenzo(a,E)cycloocten-2-yl)oxy)-N,N-dimethyl ethanamine
RN: 85850-78-8
UNII: 9K9P2R185Y
InChIKey: QFTHWBNUFXSFAZ-UTUUEOBZSA-N

Classification Code

  • Reproductive Effect

Molecular Formula

  • C28-H31-N-O.1/4H2-O

Molecular Weight

  • 1608.25
 
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Names and Synonyms

Name of Substance

  • 2-((6-Ethyl-11,12-dihydro-5-phenyldibenzo(a,E)cycloocten-2-yl)oxy)-N,N-dimethyl ethanamine

Synonym

  • UNII-9K9P2R185Y

Systematic Name

  • Dibenzo(a,e)cyclooctene, 5,6-dihydro-8-(2-(dimethylamino)ethoxy)-12-ethyl-11-phenyl-, hydrate (1:4)

Registry Numbers

CAS Registry Number

  • 85850-78-8

FDA UNII

  • 9K9P2R185Y

System Generated Number

  • 0085850788

Molecular Formulas

Molecular Formula

  • C28-H31-N-O.1/4H2-O

Molecular Formula Fragments

  • C28-H31-N-O
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/4C28H31NO.H2O/c4*1-4-25-26-13-9-8-10-21(26)14-15-23-20-24(30-19-18-29(2)3)16-17-27(23)28(25)22-11-6-5-7-12-22;/h4*5-13,16-17,20H,4,14-15,18-19H2,1-3H3;1H2/b4*28-25-;

InChIKey

QFTHWBNUFXSFAZ-UTUUEOBZSA-N

Smiles

C=1(c2c(cc(OCCN(C)C)cc2)CCc2c(cccc2)C1CC)c1ccccc1.C=1(c2c(cc(OCCN(C)C)cc2)CCc2c(C1CC)cccc2)c1ccccc1.C=1(c2c(cc(OCCN(C)C)cc2)CCc2c(C1CC)cccc2)c1ccccc1.C=1(c2c(cc(OCCN(C)C)cc2)CCc2c(C1CC)cccc2)c1ccccc1.O