Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Ketotrexate [INN]
RN: 52196-22-2
UNII: 504RN634MM
InChIKey: KCPBTDJBDDCNQE-KZUDCZAMSA-N

Molecular Formula

  • C21-H27-N7-O6

Molecular Weight

  • 473.487
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 5-Methyltetrahydrohomofolic acid
  • Ketotrexate [INN]

Synonyms

  • Ketotrexate
  • Ketotrexato
  • Ketotrexato [Spanish]
  • Ketotrexatum
  • Ketotrexatum [Latin]
  • N-(4-((2-(2-Amino-1,4,5,6,7,8-hexahydro-5-methyl-4-oxo-6-pteridinyl)ethyl)amino)benzoyl)glutamic acid
  • N-(p-((2-(2-Amino-1,4,5,6,7,8-hexahydro-5-methyl-4-oxo-6-pteridinyl)ethyl)amino)benzoyl)-L-glutamic acid
  • UNII-504RN634MM

Systematic Names

  • N-(4-((2-(2-Amino-1,4,5,6,7,8-hexahydro-5-methyl-4-oxo-6-pteridinyl)ethyl)amino)benzoyl)-L-glutamic acid
  • N-(p-((2-(2-Amino-1,4,5,6,7,8-hexahydro-5-methyl-4-oxo-6-pteridinyl)ethyl)amino)benzoyl)-L-glutamic acid

Registry Numbers

CAS Registry Number

  • 52196-22-2

FDA UNII

  • 504RN634MM

Related Registry Number

  • 52386-42-2 (di-hydrochloride salt)

System Generated Number

  • 0052196222

Structure Descriptors

InChI

1S/C21H27N7O6/c1-28-13(10-24-17-16(28)19(32)27-21(22)26-17)8-9-23-12-4-2-11(3-5-12)18(31)25-14(20(33)34)6-7-15(29)30/h2-5,13-14,23H,6-10H2,1H3,(H,25,31)(H,29,30)(H,33,34)(H4,22,24,26,27,32)/t13?,14-/m0/s1

InChIKey

KCPBTDJBDDCNQE-KZUDCZAMSA-N

Smiles

Nc1nc(c2N([C@@H](CNc2[nH]1)CCNc1ccc(cc1)C(N[C@@H](CCC(O)=O)C(O)=O)=O)C)=O