9-[(2R)-3,5-Bis-O-(4-chlorobenzoyl)-2-deoxy-2-fluoro-2-methyl-β-D-erythro-pentofuranosyl]-6-chloro-9H-purin-2-amine

CAS Registry Number®

1294481-82-5
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CAS Name

9-[(2R)-3,5-Bis-O-(4-chlorobenzoyl)-2-deoxy-2-fluoro-2-methyl-β-D-erythro-pentofuranosyl]-6-chloro-9H-purin-2-amine

Molecular Formula

C25H19Cl3FN5O5

Molecular Mass

594.81

Cite this Page

9-[(2R)-3,5-Bis-O-(4-chlorobenzoyl)-2-deoxy-2-fluoro-2-methyl-β-D-erythro-pentofuranosyl]-6-chloro-9H-purin-2-amine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1294481-82-5 (retrieved 2024-08-31) (CAS RN: 1294481-82-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    171-176 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C25H19Cl3FN5O5/c1-25(29)18(39-22(36)13-4-8-15(27)9-5-13)16(10-37-21(35)12-2-6-14(26)7-3-12)38-23(25)34-11-31-17-19(28)32-24(30)33-20(17)34/h2-9,11,16,18,23H,10H2,1H3,(H2,30,32,33)/t16-,18-,23-,25-/m1/s1

InChIKey

InChIKey=CWRGPCWFCOZJTQ-NMRNUDPRSA-N

SMILES

C[C@]1(F)[C@H](N2C=3C(N=C2)=C(Cl)N=C(N)N3)O[C@H](COC(=O)C4=CC=C(Cl)C=C4)[C@H]1OC(=O)C5=CC=C(Cl)C=C5

Canonical SMILES

O=C(OCC1OC(N2C=NC=3C(Cl)=NC(=NC32)N)C(F)(C)C1OC(=O)C4=CC=C(Cl)C=C4)C5=CC=C(Cl)C=C5

Other Names for this Substance

  • 9H-Purin-2-amine, 9-[(2R)-3,5-bis-O-(4-chlorobenzoyl)-2-deoxy-2-fluoro-2-methyl-β-D-erythro-pentofuranosyl]-6-chloro-
  • 9-[(2R)-3,5-Bis-O-(4-chlorobenzoyl)-2-deoxy-2-fluoro-2-methyl-β-D-erythro-pentofuranosyl]-6-chloro-9H-purin-2-amine