552-02
3,5-diamino-6-chloro-N-[N'-[4-[4-(2,3-dihydroxypropoxy)phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;methanesulfonic acid
Molecular Identity
552-02
3,5-diamino-6-chloro-N-[N'-[4-[4-(2,3-dihydroxypropoxy)phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;methanesulfonic acid
PubChem CID: 11548455
2D Structure
Properties
C20H30ClN7O7S
Molecular Formula
548.00
Molecular Weight
g/mol
547.1616
Exact Mass
Da
258
TPSA
May have limited oral absorption
7
H-Bond Donors
12
H-Bond Acceptors
670
Complexity
SMILES
Canonical SMILES
SMILES: CS(=O)(=O)O.C1=CC(=CC=C1CCCCN=C(N)NC(=O)C2=C(N=C(C(=N2)Cl)N)N)OCC(CO)OIsomeric SMILES
SMILES: CS(=O)(=O)O.C1=CC(=CC=C1CCCCN=C(N)NC(=O)C2=C(N=C(C(=N2)Cl)N)N)OCC(CO)OSynonyms(20)
587879-54-7UNII-81U49K900981U49K9009GS-9411RefChem:103479552-02KM-003 (sulfite)PS-552-022-Pyrazinecarboxamide, 3,5-diamino-6-chloro-N-(((4-(4-(2,3-dihydroxypropoxy)phenyl)butyl)amino)iminomethyl)-, methanesulfonate (1:1)3,5-diamino-6-chloro-N-[N'-[4-[4-(2,3-dihydroxypropoxy)phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide;methanesulfonic acidP552-02 (mesylate)orb1700234CHEMBL4297254SCHEMBL15092803SCHEMBL29615808
Data from PubChem (NCBI)
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