Australine

CAS Registry Number®

118396-02-4
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CAS Name

Australine

Molecular Formula

C8H15NO4

Molecular Mass

189.21

Cite this Page

Australine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=118396-02-4 (retrieved 2024-09-08) (CAS RN: 118396-02-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    148-149 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

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-OZRXBMAMSA-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,7aR)-
  • 1H-Pyrrolizine-1,2,7-triol, hexahydro-3-(hydroxymethyl)-, [1R-(1α,2β,3α,7β,7aα)]-
  • (1R,2R,3R,7S,7aR)-Hexahydro-3-(hydroxymethyl)-1H-pyrrolizine-1,2,7-triol
  • Australine
  • 7a-epi-Alexine

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