Terminaline

CAS Registry Number®

15112-49-9
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CAS Name

Terminaline

Molecular Formula

C23H41NO2

Molecular Mass

363.58

Cite this Page

Terminaline.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=15112-49-9 (retrieved 2024-05-11) (CAS RN: 15112-49-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    243-244 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C23H41NO2/c1-14(24(4)5)16-8-9-17-15-6-7-19-21(26)20(25)11-13-23(19,3)18(15)10-12-22(16,17)2/h14-21,25-26H,6-13H2,1-5H3/t14-,15-,16+,17-,18-,19-,20-,21-,22+,23+/m0/s1

InChIKey

InChIKey=QTNGLMWAVBOBLJ-RCFZRFIHSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@@H](N(C)C)C)(CC4)[H])[H])(CC[C@]1([C@H](O)[C@@H](O)CC2)[H])[H])[H]

Canonical SMILES

OC1CCC2(C)C(CCC3C4CCC(C(N(C)C)C)C4(C)CCC32)C1O

Other Names for this Substance

  • Pregnane-3,4-diol, 20-(dimethylamino)-, (3β,4α,5α,20S)-
  • 5α-Pregnane-3β,4α-diol, 20α-(dimethylamino)-
  • Terminaline
  • (3β,4α,5α,20S)-20-(Dimethylamino)pregnane-3,4-diol

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