1-(4-Benzoyl-1-piperazinyl)-2-[4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1-[(phosphonooxy)methyl]-1H-pyrrolo[2,3-c]pyridin-3-yl]-1,2-ethanedione

CAS Registry Number®

864953-29-7
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CAS Name

1-(4-Benzoyl-1-piperazinyl)-2-[4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1-[(phosphonooxy)methyl]-1H-pyrrolo[2,3-c]pyridin-3-yl]-1,2-ethanedione

Molecular Formula

C25H26N7O8P

Molecular Mass

583.49

Cite this Page

1-(4-Benzoyl-1-piperazinyl)-2-[4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1-[(phosphonooxy)methyl]-1H-pyrrolo[2,3-c]pyridin-3-yl]-1,2-ethanedione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=864953-29-7 (retrieved 2024-03-19) (CAS RN: 864953-29-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H26N7O8P/c1-16-27-14-32(28-16)23-21-20(19(39-2)12-26-23)18(13-31(21)15-40-41(36,37)38)22(33)25(35)30-10-8-29(9-11-30)24(34)17-6-4-3-5-7-17/h3-7,12-14H,8-11,15H2,1-2H3,(H2,36,37,38)

InChIKey

InChIKey=SWMDAPWAQQTBOG-UHFFFAOYSA-N

SMILES

C(OP(=O)(O)O)N1C=2C(C(C(C(=O)N3CCN(C(=O)C4=CC=CC=C4)CC3)=O)=C1)=C(OC)C=NC2N5N=C(C)N=C5

Canonical SMILES

O=C(C(=O)N1CCN(C(=O)C=2C=CC=CC2)CC1)C3=CN(C=4C(=NC=C(OC)C34)N5N=C(N=C5)C)COP(=O)(O)O

Other Names for this Substance

  • 1,2-Ethanedione, 1-(4-benzoyl-1-piperazinyl)-2-[4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1-[(phosphonooxy)methyl]-1H-pyrrolo[2,3-c]pyridin-3-yl]-
  • Piperazine, 1-benzoyl-4-[[4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1-[(phosphonooxy)methyl]-1H-pyrrolo[2,3-c]pyridin-3-yl]oxoacetyl]-
  • 1-(4-Benzoyl-1-piperazinyl)-2-[4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1-[(phosphonooxy)methyl]-1H-pyrrolo[2,3-c]pyridin-3-yl]-1,2-ethanedione
  • Fostemsavir
  • BMS 663068

Deleted or Replaced CAS Registry Numbers

1421365-01-6

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