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Substance Name: Lometrexol
RN: 95693-76-8
InChIKey: ZUQBAQVRAURMCL-CVRLYYSRSA-N

Classification Codes

  • Antimetabolites
  • Antimetabolites, Antineoplastic
  • Antineoplastic Agents
  • Enzyme Inhibitors
  • Folic Acid Antagonists
  • Mutation Data
  • Noxae

Molecular Formula

  • C21-H25-N5-O6

Molecular Weight

  • 443.457
 
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Names and Synonyms

Name of Substance

  • Lometrexol

Synonyms

  • 5,10-Dideaza-5,6,7,8-tetrahydrofolic acid
  • 5,10-Dideazatetrahydrofolic acid
  • DATHF
  • DDATHF
  • Pyrido(2,3-d)pyrimidine, L-glutamic acid deriv.

Systematic Name

  • L-Glutamic acid, N-(4-(2-(2-amino-1,4,5,6,7,8-hexahydro-4-oxopyrido(2,3-d)pyrimidin-6-yl)ethyl)benzoyl)-

Registry Numbers

CAS Registry Number

  • 95693-76-8

Other Registry Number

  • 116387-29-2

System Generated Number

  • 0095693768

Structure Descriptors

InChI

1S/C21H25N5O6/c22-21-25-17-14(19(30)26-21)9-12(10-23-17)2-1-11-3-5-13(6-4-11)18(29)24-15(20(31)32)7-8-16(27)28/h3-6,12,15H,1-2,7-10H2,(H,24,29)(H,27,28)(H,31,32)(H4,22,23,25,26,30)/t12?,15-/m0/s1

InChIKey

ZUQBAQVRAURMCL-CVRLYYSRSA-N

Smiles

c1(N)nc(c2C[C@@H](CNc2[nH]1)CCc1ccc(cc1)C(N[C@@H](CCC(O)=O)C(=O)O)=O)=O