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Substance Name: CB 3717
RN: 76849-19-9
InChIKey: LTKHPMDRMUCUEB-UHFFFAOYSA-N

Classification Codes

  • Antineoplastic Agents
  • Enzyme Inhibitors
  • Folic Acid Antagonists
  • Mutation Data

Molecular Formula

  • C24-H23-N5-O6

Molecular Weight

  • 477.475
 
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Names and Synonyms

Name of Substance

  • CB 3717

Synonyms

  • CB 3717
  • N(sup 10)-Propargyl-5,8-dideazafolic acid
  • N-(4-(((N-(2-Amino-4-hydroxy-6-quinazolinyl)methyl)prop-2-ynilamino)benzoyl))-L-glutamic acid

Systematic Name

  • L-Glutamic acid, N-(4-(((2-amino-1,4-dihydro-4-oxo-6-quinazolinyl)methyl)-2-propynylamino)benzoyl)-

Registry Numbers

CAS Registry Number

  • 76849-19-9

System Generated Number

  • 0076849199

Structure Descriptors

InChI

1S/C24H23N5O6/c1-2-11-29(13-14-3-8-18-17(12-14)22(33)28-24(25)27-18)16-6-4-15(5-7-16)21(32)26-19(23(34)35)9-10-20(30)31/h1,3-8,12,19H,9-11,13H2,(H,26,32)(H,30,31)(H,34,35)(H3,25,27,28,33)

InChIKey

LTKHPMDRMUCUEB-UHFFFAOYSA-N

Smiles

n1c(c2cc(CN(c3ccc(C(N[C@@H](C(=O)O)CCC(=O)O)=O)cc3)CC#C)ccc2nc1N)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 160mg/kg (160mg/kg)   United States Patent Document. Vol. #4564616,