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Substance Name: Benzaldehyde, 3-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, (E)-2-butenedioate (2:1) (salt)
RN: 56138-50-2
InChIKey: XDVSQHBMBKTFIP-WXXKFALUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H19-N-O3.1/2C4-H4-O4

Molecular Weight

  • 590.6658
 
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Names and Synonyms

Synonym

  • 3-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)benzaldehyde fumarate (2:1) (salt)

Systematic Name

  • Benzaldehyde, 3-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, (E)-2-butenedioate (2:1) (salt)

Registry Numbers

CAS Registry Number

  • 56138-50-2

System Generated Number

  • 0056138502

Molecular Formulas

Molecular Formula

  • C13-H19-N-O3.1/2C4-H4-O4

Molecular Formula Fragments

  • C13-H19-N-O3
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/2C13H19NO3.C4H4O4/c2*1-10(2)14-7-12(16)9-17-13-5-3-4-11(6-13)8-15;5-3(6)1-2-4(7)8/h2*3-6,8,10,12,14,16H,7,9H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+

InChIKey

XDVSQHBMBKTFIP-WXXKFALUSA-N

Smiles

CC(C)NCC(COc1cccc(c1)C=O)O.CC(C)NCC(COc1cccc(c1)C=O)O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 800mg/kg (800mg/kg)   Indian Journal of Chemistry. Vol. 12, Pg. 1021, 1974.