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Substance Name: 5,10-Ethano-5,10-dideazaaminopterin
RN: 137465-07-7
InChIKey: TWQHKMFGGWXDNM-VYIIXAMBSA-N

Molecular Formula

  • C23-H24-N6-O5

Molecular Weight

  • 464.48
 
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Names and Synonyms

Name of Substance

  • 5,10-Ethano-5,10-dideazaaminopterin

Synonym

  • 5,10-Eddap

Systematic Name

  • L-Glutamic acid, N-(4-(1,3-diamino-7,8,9,10-tetrahydropyrimido(4,5-c)isoquinolin-8-yl)benzoyl)-

Registry Numbers

CAS Registry Number

  • 137465-07-7

System Generated Number

  • 0137465077

Structure Descriptors

InChI

1S/C23H24N6O5/c24-19-18-15-6-5-13(9-14(15)10-26-20(18)29-23(25)28-19)11-1-3-12(4-2-11)21(32)27-16(22(33)34)7-8-17(30)31/h1-4,10,13,16H,5-9H2,(H,27,32)(H,30,31)(H,33,34)(H4,24,25,26,28,29)/t13?,16-/m0/s1

InChIKey

TWQHKMFGGWXDNM-VYIIXAMBSA-N

Smiles

C([C@@H](NC(c1ccc(cc1)[C@@H]1CCc2c3c(ncc2C1)nc(nc3N)N)=O)CCC(=O)O)(=O)O