Benzenepropanoic acid, 4-[2-[[6-amino-9-(N-ethyl-β-D-ribofuranuronamidosyl)-9H-purin-2-yl]amino]ethyl]-, sodium salt (1:1)
CAS Registry Number®
120225-64-1
No image available.
CAS Name
Benzenepropanoic acid, 4-[2-[[6-amino-9-(N-ethyl-β-D-ribofuranuronamidosyl)-9H-purin-2-yl]amino]ethyl]-, sodium salt (1:1)Molecular Formula
C23H29N7O6.NaCite this Page
Benzenepropanoic acid, 4-[2-[[6-amino-9-(N-ethyl-β-D-ribofuranuronamidosyl)-9H-purin-2-yl]amino]ethyl]-, sodium salt (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=120225-64-1 (retrieved ) (CAS RN: 120225-64-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C23H29N7O6.Na/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=MCUMRRFOMBNFQN-MJWSIIAUSA-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.[Na]
Canonical SMILES
[Na].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]-, sodium salt (1:1)
- Benzenepropanoic acid, 4-[2-[[6-amino-9-(N-ethyl-β-D-ribofuranuronamidosyl)-9H-purin-2-yl]amino]ethyl]-, monosodium salt
- CGS 21680C
