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Substance Name: 1H-Cyclopenta(b)quinazolin-1-ol, 2,3-dihydro-9-amino-, (Z)-2-butenedioate (1:1) (salt)
RN: 104628-49-1
InChIKey: RENNBTLLEVBBBK-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H12-N2-O.C4-H4-O4

Molecular Weight

  • 319.3153
 
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Names and Synonyms

Synonym

  • 9-Amino-2,3-dihydro-1H-cyclopenta(b)quinazolin-1-ol (Z)-2-butenedioate (1:1) (salt)

Systematic Name

  • 1H-Cyclopenta(b)quinazolin-1-ol, 2,3-dihydro-9-amino-, (Z)-2-butenedioate (1:1) (salt)

Registry Numbers

CAS Registry Number

  • 104628-49-1

System Generated Number

  • 0104628491

Molecular Formulas

Molecular Formula

  • C12-H12-N2-O.C4-H4-O4

Molecular Formula Fragments

  • C12-H12-N2-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C11H13N3O.C4H4O4/c12-11-7-3-1-2-4-8(7)13-9-5-6-10(15)14(9)11;5-3(6)1-2-4(7)8/h1-4,10-11,15H,5-6,12H2;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

RENNBTLLEVBBBK-BTJKTKAUSA-N

Smiles

c1ccc2c(c1)C(N3C(CCC3=N2)O)N.C(=C\C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal > 80mg/kg (80mg/kg)   Journal of Medicinal Chemistry. Vol. 32, Pg. 1805, 1989.