Name: | NECA |
CAS: | 35920-39-9 |
Synonyms: | NECA ; 5'-ETHYLCARBOXAMIDOADENOSINE ; 5'-N-ETHYLCARBOXAMIDO-ADENOSINE ; 1-(6-AMINO-9H-PURIN-9-YL)-1-DEOXY-N-ETHYL-BETA-D-RIBOFURANURONAMIDE |
MDL.: | MFCD00069195 |
H bond acceptor: | 10 |
H bond donor: | 4 |
Smile: | CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O |
InChi: | InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 |
InChiKey: | InChIKey=JADDQZYHOWSFJD-FLNNQWSLSA-N |
Property |
|
Melting Point: | 229-231 DEG C |
Comments: | HAZARD: R 28 HAZARD: S 28-36/37-45-60 RTECS: VJ2232000 TSCA: N UN NUMBER: UN2811 UNSPSC: 12000000 |
Safety information |
NECA
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