Adenosine 5′-(trihydrogen diphosphate), 3′-[2-(methylamino)benzoate]
CAS Registry Number®
85287-55-4
CAS Name
Adenosine 5′-(trihydrogen diphosphate), 3′-[2-(methylamino)benzoate]Molecular Formula
C18H22N6O11P2Molecular Mass
560.35Cite this Page
Adenosine 5′-(trihydrogen diphosphate), 3′-[2-(methylamino)benzoate]. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=85287-55-4 (retrieved ) (CAS RN: 85287-55-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C18H22N6O11P2/c1-20-10-5-3-2-4-9(10)18(26)34-14-11(6-32-37(30,31)35-36(27,28)29)33-17(13(14)25)24-8-23-12-15(19)21-7-22-16(12)24/h2-5,7-8,11,13-14,17,20,25H,6H2,1H3,(H,30,31)(H2,19,21,22)(H2,27,28,29)/t11-,13-,14-,17-/m1/s1
InChIKey
InChIKey=ANMCUTJZONROBG-LSCFUAHRSA-N
SMILES
O[C@H]1[C@H](N2C=3C(N=C2)=C(N)N=CN3)O[C@H](COP(OP(=O)(O)O)(=O)O)[C@H]1OC(=O)C4=C(NC)C=CC=C4
Canonical SMILES
O=C(OC1C(O)C(OC1COP(=O)(O)OP(=O)(O)O)N2C=NC=3C(=NC=NC32)N)C=4C=CC=CC4NC
Other Names for this Substance
- Adenosine 5′-(trihydrogen diphosphate), 3′-[2-(methylamino)benzoate]
- 3′-O-(N-methylanthraniloyl)-ADP
Deleted or Replaced CAS Registry Numbers
1580465-73-1
