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Substance Name: 1,4-Pentanediamine, N(sup 4)-(7-chloro-2-(2-(4-nitrophenyl)ethenyl)-4- quinazolinyl)-N(sup 1),N(sup 1)-diethyl-
RN: 57942-33-3
InChIKey: ZATUQNUTGQKMEC-XNTDXEJSSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H30-Cl-N5-O2

Molecular Weight

  • 467.998
 
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Names and Synonyms

Synonym

  • BRN 0771824

Systematic Name

  • 1,4-Pentanediamine, N(sup 4)-(7-chloro-2-(2-(4-nitrophenyl)ethenyl)-4- quinazolinyl)-N(sup 1),N(sup 1)-diethyl-

Registry Numbers

CAS Registry Number

  • 57942-33-3

System Generated Number

  • 0057942333

Structure Descriptors

InChI

1S/C25H30ClN5O2/c1-4-30(5-2)16-6-7-18(3)27-25-22-14-11-20(26)17-23(22)28-24(29-25)15-10-19-8-12-21(13-9-19)31(32)33/h8-15,17-18H,4-7,16H2,1-3H3,(H,27,28,29)/b15-10+

InChIKey

ZATUQNUTGQKMEC-XNTDXEJSSA-N

Smiles

CCN(CC)CCCC(C)Nc1c2ccc(cc2nc(n1)/C=C/c3ccc(cc3)[N+](=O)[O-])Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Pharmaceutical Chemistry Journal Vol. 14, Pg. 119, 1980.