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Pentostatin

CAS Registry Number®

53910-25-1

CAS Name

Pentostatin

Molecular Formula

C11H16N4O4

Molecular Mass

268.27

Cite this Page

Pentostatin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=53910-25-1 (retrieved 2024-11-23) (CAS RN: 53910-25-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    220-225 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C11H16N4O4/c16-3-8-6(17)1-9(19-8)15-5-14-10-7(18)2-12-4-13-11(10)15/h4-9,16-18H,1-3H2,(H,12,13)/t6-,7+,8+,9+/m0/s1

InChIKey

InChIKey=FPVKHBSQESCIEP-JQCXWYLXSA-N

SMILES

O[C@H]1C2=C(N(C=N2)[C@@H]3O[C@H](CO)[C@@H](O)C3)NC=NC1

Canonical SMILES

OCC1OC(N2C=NC3=C2NC=NCC3O)CC1O

Other Names for this Substance

  • Imidazo[4,5-d][1,3]diazepin-8-ol, 3-(2-deoxy-β-D-erythro-pentofuranosyl)-3,4,7,8-tetrahydro-, (8R)-
  • Imidazo[4,5-d][1,3]diazepin-8-ol, 3-(2-deoxy-β-D-erythro-pentofuranosyl)-3,4,7,8-tetrahydro-, (R)-
  • (8R)-3-(2-Deoxy-β-D-erythro-pentofuranosyl)-3,4,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol
  • CL 67310465
  • 2′-Deoxycoformycin

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Deleted or Replaced CAS Registry Numbers

59979-24-7, 63677-95-2, 69196-00-5, 70865-77-9

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