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Chemical structure of A 943931

GB40085

A 943931

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

Potent and selective histamine H4 receptor antagonist

ChemicalCAS1027330-97-7MW295.38FormulaC17H21N5
CAS number
1027330-97-7
Molecular weight
295.38
Formula
C17H21N5
InChIKey
SDTRYHWIXVHTLM-GFCCVEGCSA-N
Catalogue number
GB40085
Brand
GLPBIO
Computed properties PubChem CID 25068753 · XLogP 2.1 · TPSA 81.1 Ų · H-bond donors 2
XLogP
2.1
TPSA
81.1 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
22

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

Computed descriptors from PubChem (CID 25068753), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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