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Chemical structure of BB-22 3-carboxyindole metabolite

GC42899

BB-22 3-carboxyindole metabolite

Also known as 1-(cyclohexylmethyl)indole-3-carboxylic acid

BB-22 is an analog of the potent synthetic cannabinoid, JWH 018 that is structurally similar to PB-22 and its derivative, 5-fluoro PB-22

ChemicalCAS858515-71-6MW257.3FormulaC16H19NO2
CAS number
858515-71-6
Molecular weight
257.3
Formula
C16H19NO2
Solubility
DMF: 2 mg/ml,DMSO: 2·5 mg/ml,Ethanol: 3·3 mg/ml,Ethanol:PBS(pH 7·2) (1:1): 0·50 mg/ml
InChIKey
DKZXRWRMQWNXFR-UHFFFAOYSA-N
Catalogue number
GC42899
Brand
GLPBIO
Computed properties PubChem CID 23073195 · XLogP 3.8 · TPSA 42.2 Ų · H-bond donors 1
XLogP
3.8
TPSA
42.2 Ų
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
19

SMILES C1CCC(CC1)CN2C=C(C3=CC=CC=C32)C(=O)O

Computed descriptors from PubChem (CID 23073195), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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