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Substance Name: 5,10-Methylenetetrahydro-5-deazafolic acid
RN: 143234-78-0
InChIKey: RQJAUJZEWQYMCU-UBHUBRDASA-N

Molecular Formula

  • C21-H24-N6-O6

Molecular Weight

  • 456.457
 
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Names and Synonyms

Name of Substance

  • 5,10-Methylenetetrahydro-5-deazafolic acid

Synonyms

  • 5,10-CH2-TH5DF
  • N-(4-(3-Amino-1,2,5,6,6a,7,9,9a-octahydro-1-oxo-8H-pyrrolo(3',4':4,5)pyrido(2,3-d)pyrimidin-8-yl)benozyl)-L-glutamic acid

Systematic Name

  • L-Glutamic acid, N-(4-(3-amino-1,2,5,6,6a,7,9,9a-octahydro-1-oxo-8H-pyrrolo(3',4':4,5)pyrido(2,3-d)pyrimidin-8-yl)benozyl)-

Registry Numbers

CAS Registry Number

  • 143234-78-0

System Generated Number

  • 0143234780

Structure Descriptors

InChI

1S/C21H24N6O6/c22-21-25-17-16(19(31)26-21)13-9-27(8-11(13)7-23-17)12-3-1-10(2-4-12)18(30)24-14(20(32)33)5-6-15(28)29/h1-4,11,13-14H,5-9H2,(H,24,30)(H,28,29)(H,32,33)(H4,22,23,25,26,31)/t11?,13?,14-/m0/s1

InChIKey

RQJAUJZEWQYMCU-UBHUBRDASA-N

Smiles

C([C@@H](NC(c1ccc(cc1)N1C[C@@H]2[C@@H](CNc3nc([nH]c(c23)=O)N)C1)=O)CCC(=O)O)(=O)O