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Chemical structure of NS 30678 hydrochloride

GB40299

NS 30678 hydrochloride

Also known as N-[(5-chloro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl)methyl]ethanamine;hydrochloride

Dopamine D2 receptor ligand with surmountable/competitive-like D2 antagonist properties (Ki and IC50 values of value 9·7 nM and 7 nM, repectively in HEK-hD2L-Gαqi5 cells), equipotent to Haloperidol and Risperidone· NS30678 shows rapid recovery and dopamine responsiveness within 5 min after administration

ChemicalCAS1193707-19-5MW342.24FormulaC12H16ClNO4S·HCl
CAS number
1193707-19-5
Molecular weight
342.24
Formula
C12H16ClNO4S·HCl
InChIKey
ZUZLIKSHWKUMNT-UHFFFAOYSA-N
Catalogue number
GB40299
Brand
GLPBIO
Computed properties PubChem CID 163304537 · TPSA 73 Ų · H-bond donors 2 · H-bond acceptors 5
TPSA
73 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
20

SMILES CCNCC1COC2=C(O1)C=C(C=C2Cl)S(=O)(=O)C.Cl

Computed descriptors from PubChem (CID 163304537), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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