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Chemical structure of Ro 22-3245

GC31016

Ro 22-3245

Also known as 9-chloro-7-(2-chlorophenyl)-5H-pyrimido[5,4-d][2]benzazepine

Ro 22-3245 is an anxiolytic used in the treatment of anxiety

ChemicalCAS76988-39-1MW340.21FormulaC18H11Cl2N3
CAS number
76988-39-1
Molecular weight
340.21
Formula
C18H11Cl2N3
Solubility
Soluble in DMSO
InChIKey
CLYXKIKVKJZIOF-UHFFFAOYSA-N
Catalogue number
GC31016
Brand
GLPBIO
Computed properties PubChem CID 131736 · XLogP 4.2 · TPSA 38.1 Ų · H-bond donors 0
XLogP
4.2
TPSA
38.1 Ų
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
23

SMILES C1C2=CN=CN=C2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4Cl

Computed descriptors from PubChem (CID 131736), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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