Alexine

CAS Registry Number®

116174-63-1
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CAS Name

Alexine

Molecular Formula

C8H15NO4

Molecular Mass

189.21

Cite this Page

Alexine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=116174-63-1 (retrieved 2024-08-16) (CAS RN: 116174-63-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    160-161 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H15NO4/c10-3-4-7(12)8(13)6-5(11)1-2-9(4)6/h4-8,10-13H,1-3H2/t4-,5+,6+,7-,8-/m1/s1

InChIKey

InChIKey=AIQMLBKBQCVDEY-DWOUCZDBSA-N

SMILES

C(O)[C@H]1N2[C@]([C@@H](O)[C@@H]1O)([C@@H](O)CC2)[H]

Canonical SMILES

OCC1N2CCC(O)C2C(O)C1O

Other Names for this Substance

  • 1H-Pyrrolizine-1,2,7-triol, hexahydro-3-(hydroxymethyl)-, (1R,2R,3R,7S,7aS)-
  • 1H-Pyrrolizine-1,2,7-triol, hexahydro-3-(hydroxymethyl)-, [1R-(1α,2β,3α,7β,7aβ)]-
  • (1R,2R,3R,7S,7aS)-Hexahydro-3-(hydroxymethyl)-1H-pyrrolizine-1,2,7-triol
  • Alexine
  • (+)-Alexine