Hexadecanoic acid, compd. with (4aR,9bS)-2,3,4,4a,5,9b-hexahydro-2,8-dimethyl-1H-pyrido[4,3-b]indole (2:1)

CAS Registry Number®

85202-18-2
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CAS Name

Hexadecanoic acid, compd. with (4aR,9bS)-2,3,4,4a,5,9b-hexahydro-2,8-dimethyl-1H-pyrido[4,3-b]indole (2:1)

Molecular Formula

C16H32O2.1/2C13H18N2

Cite this Page

Hexadecanoic acid, compd. with (4aR,9bS)-2,3,4,4a,5,9b-hexahydro-2,8-dimethyl-1H-pyrido[4,3-b]indole (2:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=85202-18-2 (retrieved 2024-05-18) (CAS RN: 85202-18-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H32O2.C13H18N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-9-3-4-12-10(7-9)11-8-15(2)6-5-13(11)14-12/h2-15H2,1H3,(H,17,18);3-4,7,11,13-14H,5-6,8H2,1-2H3/t;11-,13-/m.1/s1

InChIKey

InChIKey=VSUFXHCZISKVGP-YNOMLHRESA-N

SMILES

CC=1C=C2[C@@]3([C@](NC2=CC1)(CCN(C)C3)[H])[H].C(CCCCCCCCCC)CCCCC(O)=O

Canonical SMILES

O=C(O)CCCCCCCCCCCCCCC.C=1C=C2NC3CCN(C)CC3C2=CC1C

Other Names for this Substance

  • Hexadecanoic acid, compd. with (4aR,9bS)-2,3,4,4a,5,9b-hexahydro-2,8-dimethyl-1H-pyrido[4,3-b]indole (2:1)
  • Hexadecanoic acid, compd. with (4aR-cis)-2,3,4,4a,5,9b-hexahydro-2,8-dimethyl-1H-pyrido[4,3-b]indole (2:1)
  • 1H-Pyrido[4,3-b]indole, 2,3,4,4a,5,9b-hexahydro-2,8-dimethyl-, (4aR-cis)-, dihexadecanoate
  • 1H-Pyrido[4,3-b]indole, 2,3,4,4a,5,9b-hexahydro-2,8-dimethyl-, (4aR,9bS)-, dihexadecanoate
  • Stobadin dipalmitate

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Deleted or Replaced CAS Registry Numbers

95751-54-5

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