Cyclohexanemethanol, 2-[(3aS,4R,5S,7aS)-4-(aminomethyl)octahydro-7a-methyl-1-methylene-1H-inden-5-yl]-5-hydroxy-2-methyl-, (1S,2R,5S)-, acetate (1:1)

CAS Registry Number®

782487-29-0
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CAS Name

Cyclohexanemethanol, 2-[(3aS,4R,5S,7aS)-4-(aminomethyl)octahydro-7a-methyl-1-methylene-1H-inden-5-yl]-5-hydroxy-2-methyl-, (1S,2R,5S)-, acetate (1:1)

Molecular Formula

C20H35NO2.C2H4O2

Cite this Page

Cyclohexanemethanol, 2-[(3aS,4R,5S,7aS)-4-(aminomethyl)octahydro-7a-methyl-1-methylene-1H-inden-5-yl]-5-hydroxy-2-methyl-, (1S,2R,5S)-, acetate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=782487-29-0 (retrieved 2024-07-05) (CAS RN: 782487-29-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H35NO2.C2H4O2/c1-13-4-5-17-16(11-21)18(7-9-19(13,17)2)20(3)8-6-15(23)10-14(20)12-22;1-2(3)4/h14-18,22-23H,1,4-12,21H2,2-3H3;1H3,(H,3,4)/t14-,15+,16+,17+,18+,19-,20+;/m1./s1

InChIKey

InChIKey=CQIBMEIJDDUKHP-BAHZVNHDSA-N

SMILES

C[C@@]1([C@@]2([C@@H](CN)[C@]3([C@](C)(CC2)C(=C)CC3)[H])[H])[C@@H](CO)C[C@@H](O)CC1.C(C)(O)=O

Canonical SMILES

O=C(O)C.OCC1CC(O)CCC1(C)C2CCC3(C(=C)CCC3C2CN)C

Other Names for this Substance

  • Cyclohexanemethanol, 2-[(3aS,4R,5S,7aS)-4-(aminomethyl)octahydro-7a-methyl-1-methylene-1H-inden-5-yl]-5-hydroxy-2-methyl-, (1S,2R,5S)-, acetate (1:1)
  • Cyclohexanemethanol, 2-[(3aS,4R,5S,7aS)-4-(aminomethyl)octahydro-7a-methyl-1-methylene-1H-inden-5-yl]-5-hydroxy-2-methyl-, (1S,2R,5S)-, acetate (salt)
  • AQX 1125
  • AQX-1125
  • Rosiptor acetate

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Deleted or Replaced CAS Registry Numbers

1448708-32-4