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Substance Name: gamma-Tetrazole-methotrexate
RN: 127105-48-0
InChIKey: WYMVDZHYPSUZLC-ZDUSSCGKSA-N

Note

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

Molecular Formula

  • C20-H22-N12-O3

Molecular Weight

  • 478.475
 
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Names and Synonyms

Name of Substance

  • gamma-Tetrazole-methotrexate

Synonym

  • Mtx-tetrazole

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 127105-48-0

System Generated Number

  • 0127105480

Structure Descriptors

InChI

1S/C20H22N12O3/c1-32(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(33)25-13(19(34)35)6-7-14-28-30-31-29-14/h2-5,8,13H,6-7,9H2,1H3,(H,25,33)(H,34,35)(H,28,29,30,31)(H4,21,22,23,26,27)/t13-/m0/s1

InChIKey

WYMVDZHYPSUZLC-ZDUSSCGKSA-N

Smiles

[nH]1nnnc1CC[C@@H](C(=O)O)NC(c1ccc(cc1)N(C)Cc1nc2c(nc(nc2nc1)N)N)=O