Echitamine

CAS Registry Number®

6871-44-9

CAS Name

Echitamine

Molecular Formula

C22H29N2O4

Cite this Page

Echitamine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6871-44-9 (retrieved 2024-11-22) (CAS RN: 6871-44-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    139-140 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C22H29N2O4/c1-4-14-12-24(2)10-9-21-15-7-5-6-8-17(15)23-22(21,24)18(26)11-16(14)20(21,13-25)19(27)28-3/h4-8,16,18,23,25-26H,9-13H2,1-3H3/q+1/b14-4-/t16-,18-,20-,21-,22-,24?/m0/s1

InChIKey

InChIKey=AFJPGVUCVDCFPM-MLIPYVIESA-N

SMILES

C(OC)(=O)[C@@]1(CO)[C@]23[C@]4([N@@+](C)(CC2)C\C(=C\C)\[C@@]1(C[C@@H]4O)[H])NC=5C3=CC=CC5

Canonical SMILES

O=C(OC)C1(CO)C2C(=CC)C[N+]3(C)CCC41C=5C=CC=CC5NC43C(O)C2

Other Names for this Substance

  • 13H-3,8a-Methano-1H-azepino[1′,2′:1,2]pyrrolo[2,3-b]indolium, 4-ethylidene-2,3,4,5,7,8-hexahydro-1-hydroxy-14-(hydroxymethyl)-14-(methoxycarbonyl)-6-methyl-, (1S,3S,4E,8aS,13aR,14R)-
  • Echitamine
  • 2,4(1H)-Cyclo-3,4-secoakuammilanium, 3,17-dihydroxy-16-(methoxycarbonyl)-4-methyl-, (3β,16R)-
  • Ditaine
  • (1S,3S,4E,8aS,13aR,14R)-4-Ethylidene-2,3,4,5,7,8-hexahydro-1-hydroxy-14-(hydroxymethyl)-14-(methoxycarbonyl)-6-methyl-13H-3,8a-methano-1H-azepino[1′,2′:1,2]pyrrolo[2,3-b]indolium

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Deleted or Replaced CAS Registry Numbers

1356-78-1, 23106-72-1

CAS INSIGHTSTM
Targeted protein degrader structure, illustration