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Substance Name: Xanthen-9-one, 4-(diethylamino)methyl-3-nitro-
RN: 43159-92-8
InChIKey: VDGYBMAXKRMNFH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H18-N2-O4

Molecular Weight

  • 326.35
 
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Names and Synonyms

Synonym

  • 4-(Diethylamino)methyl-3-nitroxanthen-9-one

Systematic Name

  • Xanthen-9-one, 4-(diethylamino)methyl-3-nitro-

Registry Numbers

CAS Registry Number

  • 43159-92-8

System Generated Number

  • 0043159928

Structure Descriptors

InChI

1S/C18H18N2O4/c1-3-19(4-2)11-14-15(20(22)23)10-9-13-17(21)12-7-5-6-8-16(12)24-18(13)14/h5-10H,3-4,11H2,1-2H3

InChIKey

VDGYBMAXKRMNFH-UHFFFAOYSA-N

Smiles

c1(c2ccc(c(c2oc2ccccc12)CN(CC)CC)[N+](=O)[O-])=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 117mg/kg (117mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS
Chimica Therapeutica. Vol. 8, Pg. 60, 1973.