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Raltitrexed

CAS Registry Number®

112887-68-0

CAS Name

Raltitrexed

Molecular Formula

C21H22N4O6S

Molecular Mass

458.49

Cite this Page

Raltitrexed.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=112887-68-0 (retrieved 2024-11-23) (CAS RN: 112887-68-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    180-184 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C21H22N4O6S/c1-11-22-14-4-3-12(9-13(14)19(28)23-11)10-25(2)17-7-6-16(32-17)20(29)24-15(21(30)31)5-8-18(26)27/h3-4,6-7,9,15H,5,8,10H2,1-2H3,(H,24,29)(H,26,27)(H,30,31)(H,22,23,28)/t15-/m0/s1

InChIKey

InChIKey=IVTVGDXNLFLDRM-HNNXBMFYSA-N

SMILES

O=C1C=2C(=CC=C(CN(C)C=3SC(C(N[C@@H](CCC(O)=O)C(O)=O)=O)=CC3)C2)NC(C)=N1

Canonical SMILES

O=C1N=C(NC2=CC=C(C=C12)CN(C=3SC(=CC3)C(=O)NC(C(=O)O)CCC(=O)O)C)C

Other Names for this Substance

  • L-Glutamic acid, N-[[5-[[(3,4-dihydro-2-methyl-4-oxo-6-quinazolinyl)methyl]methylamino]-2-thienyl]carbonyl]-
  • L-Glutamic acid, N-[[5-[[(1,4-dihydro-2-methyl-4-oxo-6-quinazolinyl)methyl]methylamino]-2-thienyl]carbonyl]-
  • N-[[5-[[(3,4-Dihydro-2-methyl-4-oxo-6-quinazolinyl)methyl]methylamino]-2-thienyl]carbonyl]-L-glutamic acid
  • ICI-D 1694
  • D 1694

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