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Chemical structure of (S,S)-J-113397

GC74903

(S,S)-J-113397

Also known as 1-[(3S,4S)-1-(cyclooctylmethyl)-3-(hydroxymethyl)piperidin-4-yl]-3-ethylbenzimidazol-2-one

(S,S)-J-113397 is an isomer of J-113397

ChemicalCAS256640-46-7MW399.57FormulaC24H37N3O2
CAS number
256640-46-7
Molecular weight
399.57
Formula
C24H37N3O2
InChIKey
MBGVUMXBUGIIBQ-RTWAWAEBSA-N
Catalogue number
GC74903
Brand
GLPBIO
Computed properties PubChem CID 9887195 · XLogP 4.6 · TPSA 47 Ų · H-bond donors 1
XLogP
4.6
TPSA
47 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
29

SMILES CCN1C2=CC=CC=C2N(C1=O)[C@H]3CCN(C[C@@H]3CO)CC4CCCCCCC4

Computed descriptors from PubChem (CID 9887195), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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