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Chemical structure of Tachykinin angatonist 1

GC31221

Tachykinin angatonist 1

Also known as 4-[1-[2-[1-(cyclopropylmethyl)-3-(3,4-dichlorophenyl)-6-oxopiperidin-3-yl]ethyl]azetidin-3-yl]piperazine-1-sulfonamide

Tachykinin angatonist 1 is a neurokinin receptor antagonist extracted from patent US5968923, compound example 32

ChemicalCAS178310-77-5MW544.54FormulaC24H35Cl2N5O3S
CAS number
178310-77-5
Molecular weight
544.54
Formula
C24H35Cl2N5O3S
Solubility
Soluble in DMSO
InChIKey
OQXJUJDDCWHRLA-UHFFFAOYSA-N
Catalogue number
GC31221
Brand
GLPBIO
Computed properties PubChem CID 21836537 · XLogP 2.2 · TPSA 98.6 Ų · H-bond donors 1
XLogP
2.2
TPSA
98.6 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
35

SMILES C1CC1CN2CC(CCC2=O)(CCN3CC(C3)N4CCN(CC4)S(=O)(=O)N)C5=CC(=C(C=C5)Cl)Cl

Computed descriptors from PubChem (CID 21836537), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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