Affinisine

CAS Registry Number®

2912-11-0

CAS Name

Affinisine

Molecular Formula

C20H24N2O

Molecular Mass

308.42

Cite this Page

Affinisine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2912-11-0 (retrieved 2024-11-25) (CAS RN: 2912-11-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    194 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H24N2O/c1-3-12-10-22-18-9-15-13-6-4-5-7-17(13)21(2)20(15)19(22)8-14(12)16(18)11-23/h3-7,14,16,18-19,23H,8-11H2,1-2H3/b12-3-/t14-,16+,18-,19-/m0/s1

InChIKey

InChIKey=UVWQYWHKTZABSO-ILADVTTDSA-N

SMILES

CN1C=2[C@]3([N@]4[C@@](CC2C=5C1=CC=CC5)([C@H](CO)[C@@](C3)(/C(=C\C)/C4)[H])[H])[H]

Canonical SMILES

OCC1C2C(=CC)CN3C(C4=C(C=5C=CC=CC5N4C)CC31)C2

Other Names for this Substance

  • Sarpagan-17-ol, 1-methyl-
  • Affinisine
  • 1-Methylsarpagan-17-ol
  • De(hydroxymethyl)voachalotinol
  • (+)-Affinisine

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