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Chemical structure of TAN 452

GC50558

TAN 452

Also known as ethyl (1S,2S,13R,21R)-22-(cyclopropylmethyl)-2,16-dihydroxy-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5(10),6,8,15,17,19(25)-heptaene-8-carboxylate

Potent and selective peripherally acting δ opioid antagonist; antianalgesic

ChemicalCAS892039-23-5MW486.56FormulaC29H30N2O5
CAS number
892039-23-5
Molecular weight
486.56
Formula
C29H30N2O5
Solubility
Soluble in DMSO
InChIKey
JOJGLAWHRDFWNQ-KFDULEKRSA-N
Catalogue number
GC50558
Brand
GLPBIO
Computed properties PubChem CID 57614240 · XLogP 3.5 · TPSA 95 Ų · H-bond donors 3
XLogP
3.5
TPSA
95 Ų
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
36

SMILES CCOC(=O)C1=CC2=C(C=C1)C3=C(N2)[C@H]4[C@@]56CCN([C@@H]([C@@]5(C3)O)CC7=C6C(=C(C=C7)O)O4)CC8CC8

Computed descriptors from PubChem (CID 57614240), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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