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Substance Name: 5-Chloro-5,8-dideazaisofolic acid
RN: 102743-78-2
InChIKey: GBFUWHPCXNMVFC-AWEZNQCLSA-N

Note

  • For treatment of colon adenocarcinoma.

Molecular Formula

  • C21-H20-Cl-N5-O6

Molecular Weight

  • 473.871
 
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Names and Synonyms

Name of Substance

  • 5-Chloro-5,8-dideazaisofolic acid

Synonym

  • 5-Cddifa

Systematic Name

  • L-Glutamic acid, N-(4-(((2-amino-5-chloro-1,4-dihydro-4-oxo-6-quinazolinyl)aino)methyl)benzol)-

Registry Numbers

CAS Registry Number

  • 102743-78-2

System Generated Number

  • 0102743782

Structure Descriptors

InChI

1S/C21H20ClN5O6/c22-17-13(6-5-12-16(17)19(31)27-21(23)26-12)24-9-10-1-3-11(4-2-10)18(30)25-14(20(32)33)7-8-15(28)29/h1-6,14,24H,7-9H2,(H,25,30)(H,28,29)(H,32,33)(H3,23,26,27,31)/t14-/m0/s1

InChIKey

GBFUWHPCXNMVFC-AWEZNQCLSA-N

Smiles

c1cc2[nH]c(nc(c2c(c1NCc1ccc(cc1)C(N[C@@H](CCC(O)=O)C(O)=O)=O)Cl)=O)N