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Substance Name: gamma-Tetrazole-aminopterin
RN: 127134-21-8
InChIKey: IMRSBQGLWIOFSP-LBPRGKRZSA-N

Note

  • Analog of aminopterin in which the gamma-carboxyl group is replaced by a 1H-tetrazol-5-yl ring.

Molecular Formula

  • C19-H20-N12-O3

Molecular Weight

  • 464.448
 
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Names and Synonyms

Name of Substance

  • gamma-Tetrazole-aminopterin

Synonyms

  • (S)-alpha-((4-(((2,4-Diamino-6-pteridinyl)methyl)amino)benzoyl)amino)-1H-tetrazole-5-butanoic acid
  • Tetrazole-aminopterin

Systematic Name

  • 1H-Tetrazole-5-butanoic acid, alpha-((4-(((2,4-diamino-6-pteridinyl)methyl)amino)benzoyl)amino)-, (S)-

Registry Numbers

CAS Registry Number

  • 127134-21-8

System Generated Number

  • 0127134218

Structure Descriptors

InChI

1S/C19H20N12O3/c20-15-14-16(27-19(21)26-15)23-8-11(24-14)7-22-10-3-1-9(2-4-10)17(32)25-12(18(33)34)5-6-13-28-30-31-29-13/h1-4,8,12,22H,5-7H2,(H,25,32)(H,33,34)(H,28,29,30,31)(H4,20,21,23,26,27)/t12-/m0/s1

InChIKey

IMRSBQGLWIOFSP-LBPRGKRZSA-N

Smiles

n1c(c2nc(cnc2nc1N)CNc1ccc(C(N[C@@H](CCc2n[nH]nn2)C(=O)O)=O)cc1)N