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Substance Name: NC 758
RN: 125563-95-3
UNII: 9K0C44112H
InChIKey: SFNAZJOEZQFYCY-HLVWOLMTSA-N

Note

  • Bis-Mannich base derived from a conjugated styryl ketone.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H44-N2-O2.2Br-H

Molecular Weight

  • 602.491
 
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Names and Synonyms

Name of Substance

  • NC 758

Synonyms

  • (E,E)-1,1'-(1,4-Phenylene)bis(5-(diethylamino)-4,4-dimethyl-1-penten-3-one) dihydrobromide
  • NC 758
  • UNII-9K0C44112H

Systematic Name

  • 1-Penten-3-one, 1,1'-(1,4-phenylene)bis(5-(diethylamino)-4,4-dimethyl-, dihydrobromide, (E,E)-

Registry Numbers

CAS Registry Number

  • 125563-95-3

FDA UNII

  • 9K0C44112H

System Generated Number

  • 0125563953

Molecular Formulas

Molecular Formula

  • C28-H44-N2-O2.2Br-H

Molecular Formula Fragments

  • Br-H
  • C28-H44-N2-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C28H44N2O2.2BrH/c1-9-29(10-2)21-27(5,6)25(31)19-17-23-13-15-24(16-14-23)18-20-26(32)28(7,8)22-30(11-3)12-4;;/h13-20H,9-12,21-22H2,1-8H3;2*1H/b19-17+,20-18+;;

InChIKey

SFNAZJOEZQFYCY-HLVWOLMTSA-N

Smiles

c1(ccc(cc1)\C=C\C(C(CN(CC)CC)(C)C)=O)\C=C\C(C(CN(CC)CC)(C)C)=O.Br.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 47mg/kg (47mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

SKIN AND APPENDAGES (SKIN): HAIR: OTHER

GASTROINTESTINAL: PERITONITIS
Fundamental and Applied Toxicology. Vol. 14, Pg. 318, 1990.