Anhydroleucovorin

CAS Registry Number®

7444-29-3

CAS Name

Anhydroleucovorin

Molecular Formula

C20H21N7O6

Cite this Page

Anhydroleucovorin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=7444-29-3 (retrieved 2024-11-29) (CAS RN: 7444-29-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H21N7O6/c21-20-24-16-15(18(31)25-20)27-9-26(8-12(27)7-22-16)11-3-1-10(2-4-11)17(30)23-13(19(32)33)5-6-14(28)29/h1-4,9,12-13H,5-8H2,(H6-,21,22,23,24,25,28,29,30,31,32,33)/t12-,13+/m1/s1

InChIKey

InChIKey=MEANFMOQMXYMCT-OLZOCXBDSA-N

SMILES

O=C1C=2N3[C@@](C[N+](=C3)C4=CC=C(C(N[C@@H](CCC(O)=O)C([O-])=O)=O)C=C4)(CNC2NC(N)=N1)[H]

Canonical SMILES

O=C1N=C(N)NC=2NCC3N(C=[N+](C=4C=CC(=CC4)C(=O)NC(C(=O)[O-])CCC(=O)O)C3)C12

Other Names for this Substance

  • Imidazo[1,5-f]pteridinium, 3-amino-8-[4-[[[(1S)-1,3-dicarboxypropyl]amino]carbonyl]phenyl]-1,2,5,6,6a,7-hexahydro-1-oxo-, inner salt, (6aR)-
  • 1H-Imidazo[1,5-f]pteridin-10-ium, 3-amino-8-[p-[(1,3-dicarboxypropyl)carbamoyl]phenyl]-2,5,6,6a,7,8-hexahydro-1-oxo-, hydroxide, inner salt
  • Imidazo[1,5-f]pteridinium, 3-amino-8-[4-[[(1,3-dicarboxypropyl)amino]carbonyl]phenyl]-1,2,5,6,6a,7-hexahydro-1-oxo-, inner salt, [R-(R*,S*)]-
  • 3-Amino-8-[p-[(1,3-dicarboxypropyl)carbamoyl]phenyl]-1,2,5,6,6a,7-hexahydro-1-oxo-8H-imidazo[1,5-f]pteridin-10-ium hydroxide, inner salt
  • 3-Amino-8-[p-[(L-1,3-dicarboxypropyl)carbamoyl]phenyl]-1,2,5,6,6a,7-hexahydro-1-oxo-8H-imidazo[1,5-f]pteridin-10-ium hydroxide, inner salt

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Deleted or Replaced CAS Registry Numbers

100406-30-2, 1276-89-7, 6799-70-8, 25061-99-8, 26723-85-3, 28187-07-7, 74742-49-7

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