Product Information
Chemical Formula: | C23H29N7O6 |
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Molecular Weight: | 499.52 |
Synonyms: | 1-Deoxy-1-[6-Amino-2-[2-[4-(2-Carboxyethyl)Phenyl]Ethylamino]-9H-Purin-9-Yl]-N-Ethyl-β-D-Ribofuranuronamide; 2-[[2-[4-(2-Carboxyethyl)Phenyl]Ethyl]Amino]-5'-Ethylamino-5'-Oxo-5'-Deoxyadenosine; 2-[[2-[4-(3-Hydroxy-3-Oxopropyl)Phenyl]Ethyl]Amino]-5'-Deoxy-5'-Oxo-5'-(Ethylamino)Adenosine; 2-(4-(2-Carboxyethyl)Phenethylamino)-5'-N-Ethylcarboxamidoadenosine; Benzenepropanoic Acid, 4-(2-((6-Amino-9-(N-Ethyl-Beta-D-Ribofuranuronamidosyl)-9H-Purin-2-Yl)Amino)Ethyl)-; C061282; Cgs-21680C; 4-[2-[[6-Amino-9-(N-Ethyl-Beta-D-Ribofuranuronamidosyl)-9H-Purin-2-Yl]Amino]Ethyl]Benzenepropanoic Acid |
MDL No.: | MFCD00078573 |
EINECS / EC No.: | N/A |
Pubchem CID: | 3086599 |
IUPAC Name: | 3-[4-[2-[[6-amino-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]amino]ethyl]phenyl]propanoic acid |
Standard 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 |
InchI Key: | PAOANWZGLPPROA-RQXXJAGISA-N |
SMILES: | CCNC(=O)C1C(C(C(O1)N2C=NC3=C(N=C(N=C32)NCCC4=CC=C(C=C4)CCC(=O)O)N)O)O |
Appearance: | - |
Melting Point: | N/A |
Boiling Point: | N/A |
Density (Theoretical): | 1.6 |
Safety Information
Signal Word: | Warning |
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Hazard Statements: | H302-H315-H319-H335 |
Precautionary Statements: | P261-P305 P351 P338 |
Transportation Information: | N/A |
GHS Pictograms: |