(Q27074477)

methyl 4-[3-[6-amino-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]prop-2-ynyl]cyclohexane-1-carboxylate

APADENOSON (English)

18 November 2016

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₃H₃₀N₆O₆

0 references

canonical SMILES

CCNC(=O)C1OC(C(C1O)O)N2C3=NC(=NC(=C3N=C2)N)C#CCC4CCC(CC4)C(=O)OC

1 reference

apadenoson (English)

18 November 2016

CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)N2C3=NC(=NC(=C3N=C2)N)C#CC[C@H]4CC[C@@H](CC4)C(=O)OC

1 reference

InChI=1S/C23H30N6O6/c1-3-25-21(32)18-16(30)17(31)22(35-18)29-11-26-15-19(24)27-14(28-20(15)29)6-4-5-12-7-9-13(10-8-12)23(33)34-2/h11-13,16-18,22,30-31H,3,5,7-10H2,1-2H3,(H,25,32)(H2,24,27,28)/t12-,13-,16-,17+,18-,22+/m0/s1

English

title

apadenoson (English)

retrieved

18 November 2016

Identifiers

InChI

1 reference

FLEVIENZILQUKB-XTWQNQIISA-N

apadenoson (English)

18 November 2016

1 reference

apadenoson (English)

18 November 2016

1 reference

apadenoson (English)

18 November 2016

1 reference

apadenoson (English)

18 November 2016

1 reference

Guide to Pharmacology Ligand ID

English

title

APADENOSON (English)

retrieved

18 November 2016

3290

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

3290

apadenoson (English)

18 November 2016

1 reference

matched by identifier from

Apadenoson (English)

18 November 2016

1 reference

InChIKey

FLEVIENZILQUKB-XTWQNQIISA-N

2 references