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Chemical structure of RG7713 (RO5028442)

GC30890

RG7713 (RO5028442)

Also known as [6-chloro-1-[2-(dimethylamino)ethyl]indol-3-yl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone

RG7713 (RO5028442) (RO5028442) is a highly potent and selective Brain-Penetrant Vasopressin 1a (V1a) receptor antagonist with Kis of 1 nM (hV1a) and 39 nM (mV1a)

ChemicalCAS920022-47-5MW437.96FormulaC25H28ClN3O2
CAS number
920022-47-5
Molecular weight
437.96
Formula
C25H28ClN3O2
Solubility
DMSO : 20 mg/mL (45·67 mM)
InChIKey
QZXVLRCMAHJVIP-UHFFFAOYSA-N
Catalogue number
GC30890
Brand
GLPBIO
Computed properties PubChem CID 59657596 · XLogP 3.3 · TPSA 37.7 Ų · H-bond donors 0
XLogP
3.3
TPSA
37.7 Ų
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
31

SMILES CN(C)CCN1C=C(C2=C1C=C(C=C2)Cl)C(=O)N3CCC4(CC3)C5=CC=CC=C5CO4

Computed descriptors from PubChem (CID 59657596), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Pricing
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Documents
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