rel-1-[(3aR,4S,9bS)-4-(6-Bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethanone

CAS Registry Number®

881639-98-1
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CAS Name

rel-1-[(3aR,4S,9bS)-4-(6-Bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethanone

Molecular Formula

C21H18BrNO3

Molecular Mass

412.28

Cite this Page

rel-1-[(3aR,4S,9bS)-4-(6-Bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethanone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=881639-98-1 (retrieved 2024-05-18) (CAS RN: 881639-98-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    103-105 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1/C21H18BrNO3/c1-11(24)12-5-6-18-15(7-12)13-3-2-4-14(13)21(23-18)16-8-19-20(9-17(16)22)26-10-25-19/h2-3,5-9,13-14,21,23H,4,10H2,1H3/t13-,14+,21-/s2

InChIKey

InChIKey=VHSVKVWHYFBIFJ-POPDYMONNA-N

SMILES

BrC1=C([C@H]2[C@@]3([C@](C=4C(N2)=CC=C(C(C)=O)C4)(C=CC3)[H])[H])C=C5C(=C1)OCO5

Canonical SMILES

O=C(C1=CC=C2NC(C=3C=C4OCOC4=CC3Br)C5CC=CC5C2=C1)C

Other Names for this Substance

  • Ethanone, 1-[(3aR,4S,9bS)-4-(6-bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-, rel-
  • rel-1-[(3aR,4S,9bS)-4-(6-Bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethanone
  • G1
  • G 1
  • G 1 (Anti-tumor agent)

Deleted or Replaced CAS Registry Numbers

2869969-16-2

CAS INSIGHTSTM
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