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Chemical structure of Rotundine

GC14657

Rotundine

Also known as (13aS)-2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline

Dopamine D1 receptor antagonist,potent and selective

ChemicalCAS483-14-7MW355.43FormulaC21H25NO4
CAS number
483-14-7
Molecular weight
355.43
Formula
C21H25NO4
Solubility
≥ 16mg/mL in DMSO
InChIKey
AEQDJSLRWYMAQI-KRWDZBQOSA-N
Catalogue number
GC14657
Brand
GLPBIO
Computed properties PubChem CID 72301 · XLogP 3.2 · TPSA 40.2 Ų · H-bond donors 0
XLogP
3.2
TPSA
40.2 Ų
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
26

SMILES COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC

Computed descriptors from PubChem (CID 72301), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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