CGS 21680

CAS Registry Number®

120225-54-9
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CAS Name

CGS 21680

Molecular Formula

C23H29N7O6

Molecular Mass

499.52

Cite this Page

CGS 21680.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=120225-54-9 (retrieved 2024-06-19) (CAS RN: 120225-54-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H29N7O6/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29)/t16-,17+,18-,22+/m0/s1

InChIKey

InChIKey=PAOANWZGLPPROA-RQXXJAGISA-N

SMILES

O[C@H]1[C@H](N2C=3C(N=C2)=C(N)N=C(NCCC4=CC=C(CCC(O)=O)C=C4)N3)O[C@H](C(NCC)=O)[C@H]1O

Canonical SMILES

O=C(O)CCC1=CC=C(C=C1)CCNC=2N=C(N)C=3N=CN(C3N2)C4OC(C(=O)NCC)C(O)C4O

Other Names for this Substance

  • Benzenepropanoic acid, 4-[2-[[6-amino-9-(N-ethyl-β-D-ribofuranuronamidosyl)-9H-purin-2-yl]amino]ethyl]-
  • 4-[2-[[6-Amino-9-(N-ethyl-β-D-ribofuranuronamidosyl)-9H-purin-2-yl]amino]ethyl]benzenepropanoic acid
  • CGS 21680

Deleted or Replaced CAS Registry Numbers

124182-57-6, 160009-89-2, 1169605-34-8, 1254644-99-9

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