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amilorida dihydrate hydrochloride

amilorida dihydrate hydrochloride

CAS: 17440-83-4

Formula: C6H13Cl2N7O3

SMILES: O.O.Cl[H].NC(=N)NC(=O)C1=NC(Cl)=C(N)N=C1N

IUPAC: 3,5-diamino-N-carbamimidoyl-6-chloropyrazine-2-carboxamide dihydrate hydrochloride

InChI: InChI=1S/C6H8ClN7O.ClH.2H2O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11;;;/h(H4,8,9,13)(H4,10,11,14,15);1H;2*1H2

Composition: C (23.85%), H (4.34%), Cl (23.47%), N (32.45%), O (15.89%)

Molar Mass: 302.12

Atom Count: 31

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 301.0456927
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 5
InChIKey LTKVFMLMEYCWMK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 67.18
Topological Polar Surface Area 156.79
Polarizability 19.56
Ring Count 1
Rotatable Bond Count 1

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