IB-MECA
CAS Registry Number®
152918-18-8
No image available.
CAS Name
IB-MECAMolecular Formula
C18H19IN6O4Molecular Mass
510.29Cite this Page
IB-MECA. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=152918-18-8 (retrieved ) (CAS RN: 152918-18-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1
InChIKey
InChIKey=HUJXGQILHAUCCV-MOROJQBDSA-N
SMILES
O[C@H]1[C@H](N2C=3C(N=C2)=C(NCC4=CC(I)=CC=C4)N=CN3)O[C@H](C(NC)=O)[C@H]1O
Canonical SMILES
O=C(NC)C1OC(N2C=NC=3C(=NC=NC32)NCC=4C=CC=C(I)C4)C(O)C1O
Other Names for this Substance
- β-D-Ribofuranuronamide, 1-deoxy-1-[6-[[(3-iodophenyl)methyl]amino]-9H-purin-9-yl]-N-methyl-
- 1-Deoxy-1-[6-[[(3-iodophenyl)methyl]amino]-9H-purin-9-yl]-N-methyl-β-D-ribofuranuronamide
- N6-(3-Iodobenzyl)adenosine-5′-N-methyluronamide
- IB-MECA
- CF 101
Deleted or Replaced CAS Registry Numbers
215462-30-9
