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Chemical structure of RP 67580

GC11084

RP 67580

Also known as (3aR,7aR)-2-[2-(2-methoxyphenyl)ethanimidoyl]-7,7-diphenyl-1,3,3a,5,6,7a-hexahydroisoindol-4-one

tachykinin NK1 receptor antagonist

ChemicalCAS135911-02-3MW438.57FormulaC29H30N2O2
CAS number
135911-02-3
Molecular weight
438.57
Formula
C29H30N2O2
Solubility
＜43·86mg/ml in ethanol; ＜21·93mg/ml in DMSO
InChIKey
VWBOQFANCXZMAU-LOSJGSFVSA-N
Catalogue number
GC11084
Brand
GLPBIO
Computed properties PubChem CID 107686 · XLogP 4.7 · TPSA 53.4 Ų · H-bond donors 1
XLogP
4.7
TPSA
53.4 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
33

SMILES COC1=CC=CC=C1CC(=N)N2C[C@H]3[C@@H](C2)C(CCC3=O)(C4=CC=CC=C4)C5=CC=CC=C5

Computed descriptors from PubChem (CID 107686), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Pricing
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Documents
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