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Chemical structure of Rolofylline metabolite M1-cis

GB40350

Rolofylline metabolite M1-cis

Also listed as Rolofylline metabolite M1-cis - Compound 4

Active metabolite of Rolofylline, a potent and selective adenosine A1 receptor antagonist

ChemicalCAS161167-65-3MW372.46FormulaC20H28N4O3
CAS number
161167-65-3
Molecular weight
372.46
Formula
C20H28N4O3
InChIKey
RQXXBTUEEJCGNQ-UHFFFAOYSA-N
Catalogue number
GB40350
Brand
GLPBIO
Computed properties PubChem CID 9885824 · XLogP 3.3 · TPSA 89.5 Ų · H-bond donors 2
XLogP
3.3
TPSA
89.5 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
27

SMILES CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C34CC5CC3CC(C4)C5O

Computed descriptors from PubChem (CID 9885824), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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