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Chemical structure of A 943931 dihydrochloride

GC11121

A 943931 dihydrochloride

Also known as 6-[(3R)-3-aminopyrrolidin-1-yl]-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine;dihydrochloride

Antagonist of histamine H4 receptor,potent and selective

ChemicalCAS1227675-50-4MW368.31FormulaC17H21N5·2HCl
CAS number
1227675-50-4
Molecular weight
368.31
Formula
C17H21N5·2HCl
Solubility
＜36·83mg/ml in Water; ＜36·83mg/ml in DMSO
InChIKey
ISYUFRNZHUOGLA-CURYUGHLSA-N
Catalogue number
GC11121
Brand
GLPBIO
Computed properties PubChem CID 56972240 · TPSA 81.1 Ų · H-bond donors 4 · H-bond acceptors 5
TPSA
81.1 Ų
H-bond donors
4
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
24

SMILES C1CC2=CC=CC=C2C3=C(C1)C(=NC(=N3)N)N4CC[C@H](C4)N.Cl.Cl

Computed descriptors from PubChem (CID 56972240), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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