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Substance Name: Aneron nyscaps
RN: 74890-30-5
InChIKey: KCSJEUUKLHIKCB-FAEGOKEDSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H21-N-O4.C16-N20-N2.C9-H11-N-O2.C8-H10-N4-O2.C4-H4-O4.Br-H

Molecular Weight

  • 1100.0713
 
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Names and Synonyms

Results Name

  • Aneron nyscaps

Synonym

  • Aneron nyscaps

Systematic Name

  • Benzeneacetic acid, alpha-(hydroxymethyl)-, 9-methyl-3-oxa-9-azatricyclo(3.3.1.0(sup 2,4))non-7-yl ester, (7-(S)-(1-alpha,2-beta,4-beta,5-alpha,7-beta))-, hydrobromide, mixt. with 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione, N,N-dimethyl-gamma-phenyl-2-pyridinepropanamine (Z)-2-butenedioate (1:1) and ethyl 4-aminobenzoate

Registry Numbers

CAS Registry Number

  • 74890-30-5

System Generated Number

  • 0074890305

Molecular Formulas

Molecular Formula

  • C17-H21-N-O4.C16-N20-N2.C9-H11-N-O2.C8-H10-N4-O2.C4-H4-O4.Br-H

Molecular Formula Fragments

  • Br-H
  • C16-N20-N2
  • C17-H21-N-O4
  • C4-H4-O4
  • C8-H10-N4-O2
  • C9-H11-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C17H21NO4.C16H20N2.C9H11NO2.C8H10N4O2.C4H4O4.BrH/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10;1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16;1-2-12-9(11)7-3-5-8(10)6-4-7;1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;5-3(6)1-2-4(7)8;/h2-6,11-16,19H,7-9H2,1H3;3-10,12,15H,11,13H2,1-2H3;3-6H,2,10H2,1H3;4H,1-3H3;1-2H,(H,5,6)(H,7,8);1H/b;;;;2-1+;/t11-,12-,13+,14-,15-,16+;;;;;/m1...../s1

InChIKey

KCSJEUUKLHIKCB-FAEGOKEDSA-N

Smiles

CCOC(=O)c1ccc(cc1)N.Cn1cnc2c1c(=O)n(c(=O)n2C)C.CN1[C@@H]2C[C@@H](C[C@H]1[C@@H]3[C@H]2O3)OC(=O)[C@H](CO)c4ccccc4.CN(C)CCC(c1ccccc1)c2ccccn2.C(=C/C(=O)O)\C(=O)O.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1500mg/kg (1500mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: ATAXIA
Kurume Igakkai Zasshi. Journal of the Kurume Medical Association. Vol. 43, Pg. 168, 1980.
rat LD50 oral 4550mg/kg (4550mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: ATAXIA
Kurume Igakkai Zasshi. Journal of the Kurume Medical Association. Vol. 43, Pg. 168, 1980.