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Chemical structure of RCS-4 M11 metabolite

GC40633

RCS-4 M11 metabolite

Also known as 5-[3-(4-hydroxybenzoyl)indol-1-yl]pentan-2-one

RCS-4 is a synthetic cannabinoid which has been detected in herbal mixtures

ChemicalCAS1952336-78-5MW321.4FormulaC20H19NO3
CAS number
1952336-78-5
Molecular weight
321.4
Formula
C20H19NO3
Solubility
DMF： 5 mg/ml,DMSO： 3 mg/ml,Ethanol： 10 mg/ml,Ethanol：PBS (pH 7·2) (1：10)： 0·1 mg/ml
InChIKey
PAMVOBREECCUAM-UHFFFAOYSA-N
Catalogue number
GC40633
Brand
GLPBIO
Computed properties PubChem CID 125181368 · XLogP 2.9 · TPSA 59.3 Ų · H-bond donors 1
XLogP
2.9
TPSA
59.3 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
24

SMILES CC(=O)CCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC=C(C=C3)O

Computed descriptors from PubChem (CID 125181368), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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