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Substance Name: 1-Propanamine, N,N-dimethyl-3-((2,2-dimethyl-6-pentyl-2H-1-benzopyran-7-yl)oxy)-, ethanedioate (1:1)
RN: 60796-49-8
InChIKey: LIBBREVTXIACGT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H33-N-O2.C2-H2-O4

Molecular Weight

  • 421.5305
 
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Names and Synonyms

Synonym

  • 7-(3'-Dimethylaminopropoxy)-2,2'-dimethyl-6-n-pentylchromene oxalate

Systematic Name

  • 1-Propanamine, N,N-dimethyl-3-((2,2-dimethyl-6-pentyl-2H-1-benzopyran-7-yl)oxy)-, ethanedioate (1:1)

Registry Numbers

CAS Registry Number

  • 60796-49-8

System Generated Number

  • 0060796498

Molecular Formulas

Molecular Formula

  • C21-H33-N-O2.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C21-H33-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C21H33NO2.C2H2O4/c1-6-7-8-10-17-15-18-11-12-21(2,3)24-20(18)16-19(17)23-14-9-13-22(4)5;3-1(4)2(5)6/h11-12,15-16H,6-10,13-14H2,1-5H3;(H,3,4)(H,5,6)

InChIKey

LIBBREVTXIACGT-UHFFFAOYSA-N

Smiles

CCCCCc1cc2c(cc1OCCCN(C)C)OC(C=C2)(C)C.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300mg/kg (300mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 14, Pg. 449, 1976.