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Substance Name: 3-Deazamethotrexate
RN: 34561-27-8
InChIKey: UGWODJDIYOBPOW-HNNXBMFYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C21-H23-N7-O5

Molecular Weight

  • 453.457
 
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Names and Synonyms

Results Name

  • 3-Deazamethotrexate

Synonyms

  • 3-Deazamethotrexate
  • BRN 0871116
  • N-(p-(((6,8-Diaminopyrido(2,3-b)pyrazin-2-yl)methyl)methylamino)benzoyl)glutamic acid
  • SRI 4782

Systematic Name

  • L-Glutamic acid, N-(4-(((6,8-diaminopyrido(2,3-b)pyrazin-2-yl)methyl)methylamino)benzoyl)-

Registry Numbers

CAS Registry Number

  • 34561-27-8

System Generated Number

  • 0034561278

Structure Descriptors

InChI

1S/C21H23N7O5/c1-28(10-12-9-24-19-18(25-12)14(22)8-16(23)27-19)13-4-2-11(3-5-13)20(31)26-15(21(32)33)6-7-17(29)30/h2-5,8-9,15H,6-7,10H2,1H3,(H,26,31)(H,29,30)(H,32,33)(H4,22,23,24,27)/t15-/m0/s1

InChIKey

UGWODJDIYOBPOW-HNNXBMFYSA-N

Smiles

C([C@@H](NC(c1ccc(cc1)N(C)Cc1nc2c(nc1)nc(cc2N)N)=O)CCC(=O)O)(=O)O