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Chemical structure of Asthma relating compound 1

GC32014

Asthma relating compound 1

Also known as 4-[[(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]methyl]benzenesulfonamide

Asthma relating compound 1 is an anti-asthmatic agent candidate extracted from patent EP0295656A1

ChemicalCAS120165-51-7MW377.48FormulaC17H19N3O3S2
CAS number
120165-51-7
Molecular weight
377.48
Formula
C17H19N3O3S2
Solubility
Soluble in DMSO
InChIKey
IKIAJUVGDUYASS-UHFFFAOYSA-N
Catalogue number
GC32014
Brand
GLPBIO
Computed properties PubChem CID 129065 · XLogP 3.5 · TPSA 142 Ų · H-bond donors 3
XLogP
3.5
TPSA
142 Ų
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
25

SMILES CC1=C(C(=C(C2=C1N=C(S2)NCC3=CC=C(C=C3)S(=O)(=O)N)C)O)C

Computed descriptors from PubChem (CID 129065), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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