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Substance Name: Pemetrexed tromethamine [USAN]
RN: 1851348-04-3
UNII: UW86GB537A
InChIKey: DUORKVZYABUEHW-AHJYMZSGSA-N

Classification Code

  • Antineoplastic

Molecular Formula

  • C20-H21-N5-O6.2C4-H11-N-O3.2H2-O

Molecular Weight

  • 705.7143
 
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Names and Synonyms

Name of Substance

  • Pemetrexed ditromethamine dihydrate
  • Pemetrexed tromethamine [USAN]

Synonyms

  • L-Glutamic acid, N-(4-(2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo(2,3-d)pyrimidin-5-yl)ethyl)benzoyl)-, compd. with 2-amino-2-(hydroxymethyl)-1,3-propanediol, hydrate (1:2:2)
  • Pemetrexed ditromethamine dihydrate
  • Pemetrexed tromethamine
  • UNII-UW86GB537A

Registry Numbers

CAS Registry Number

  • 1851348-04-3

FDA UNII

  • UW86GB537A

System Generated Number

  • 1851348043

Structure Descriptors

InChI

1S/C20H21N5O6.2C4H11NO3.2H2O/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27;2*5-4(1-6,2-7)3-8;;/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29);2*6-8H,1-3,5H2;2*1H2/t13-;;;;/m0..../s1

InChIKey

DUORKVZYABUEHW-AHJYMZSGSA-N

Smiles

O.O.NC1=Nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)c2C(=O)N1.NC(CO)(CO)CO.NC(CO)(CO)CO