1-Deoxy-1-[6-[(2,2-diphenylethyl)amino]-2-[[[2-[[[[1-(2-pyridinyl)-4-piperidinyl]amino]carbonyl]amino]ethyl]amino]carbonyl]-9H-purin-9-yl]-N-ethyl-β-D-ribofuranuronamide

CAS Registry Number®

380221-63-6
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CAS Name

1-Deoxy-1-[6-[(2,2-diphenylethyl)amino]-2-[[[2-[[[[1-(2-pyridinyl)-4-piperidinyl]amino]carbonyl]amino]ethyl]amino]carbonyl]-9H-purin-9-yl]-N-ethyl-β-D-ribofuranuronamide

Molecular Formula

C40H47N11O6

Molecular Mass

777.87

Cite this Page

1-Deoxy-1-[6-[(2,2-diphenylethyl)amino]-2-[[[2-[[[[1-(2-pyridinyl)-4-piperidinyl]amino]carbonyl]amino]ethyl]amino]carbonyl]-9H-purin-9-yl]-N-ethyl-β-D-ribofuranuronamide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=380221-63-6 (retrieved 2024-04-20) (CAS RN: 380221-63-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    190-192 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C40H47N11O6/c1-2-41-37(54)33-31(52)32(53)39(57-33)51-24-46-30-34(45-23-28(25-11-5-3-6-12-25)26-13-7-4-8-14-26)48-35(49-36(30)51)38(55)43-19-20-44-40(56)47-27-16-21-50(22-17-27)29-15-9-10-18-42-29/h3-15,18,24,27-28,31-33,39,52-53H,2,16-17,19-23H2,1H3,(H,41,54)(H,43,55)(H2,44,47,56)(H,45,48,49)/t31-,32+,33-,39+/m0/s1

InChIKey

InChIKey=ZOTHAEBAWXWVID-HXEFRTELSA-N

SMILES

N(CC(C1=CC=CC=C1)C2=CC=CC=C2)C3=C4C(N(C=N4)[C@@H]5O[C@H](C(NCC)=O)[C@@H](O)[C@H]5O)=NC(C(NCCNC(NC6CCN(CC6)C7=CC=CC=N7)=O)=O)=N3

Canonical SMILES

O=C(NCCNC(=O)C=1N=C(NCC(C=2C=CC=CC2)C=3C=CC=CC3)C=4N=CN(C4N1)C5OC(C(=O)NCC)C(O)C5O)NC6CCN(C7=NC=CC=C7)CC6

Other Names for this Substance

  • β-D-Ribofuranuronamide, 1-deoxy-1-[6-[(2,2-diphenylethyl)amino]-2-[[[2-[[[[1-(2-pyridinyl)-4-piperidinyl]amino]carbonyl]amino]ethyl]amino]carbonyl]-9H-purin-9-yl]-N-ethyl-
  • 1-Deoxy-1-[6-[(2,2-diphenylethyl)amino]-2-[[[2-[[[[1-(2-pyridinyl)-4-piperidinyl]amino]carbonyl]amino]ethyl]amino]carbonyl]-9H-purin-9-yl]-N-ethyl-β-D-ribofuranuronamide
  • UK 432097
  • A 1193
  • Axon 1193

Deleted or Replaced CAS Registry Numbers

1000614-91-4

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