Leonurine

CAS Registry Number®

24697-74-3

CAS Name

Leonurine

Molecular Formula

C14H21N3O5

Molecular Mass

311.33

Cite this Page

Leonurine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=7097-09-8 (retrieved 2024-12-22) (CAS RN: 24697-74-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    238 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C14H21N3O5/c1-20-10-7-9(8-11(21-2)12(10)18)13(19)22-6-4-3-5-17-14(15)16/h7-8,18H,3-6H2,1-2H3,(H4,15,16,17)

InChIKey

InChIKey=WNGSUWLDMZFYNZ-UHFFFAOYSA-N

SMILES

C(OCCCCNC(=N)N)(=O)C1=CC(OC)=C(O)C(OC)=C1

Canonical SMILES

O=C(OCCCCNC(=N)N)C1=CC(OC)=C(O)C(OC)=C1

Other Names for this Substance

  • Benzoic acid, 4-hydroxy-3,5-dimethoxy-, 4-[(aminoiminomethyl)amino]butyl ester
  • Benzoic acid, 4-hydroxy-3,5-dimethoxy-, ester with (4-hydroxybutyl)guanidine
  • Leonurine
  • Guanidine, (4-hydroxybutyl)-, 4-hydroxy-3,5-dimethoxybenzoate (ester)
  • Guanidine, (4-hydroxybutyl)-, 4-hydroxy-3,5-dimethoxybenzoate

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Deleted or Replaced CAS Registry Numbers

7097-09-8

CAS INSIGHTSTM
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