Molecule ID: 68552

IUPAC Name: 2-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)guanidine;sulfuric acid

Description: The molecule is a sulfate salt resulting from the reaction of 2 eq. guanadrel with 1 eq. sulfuric acid. A postganglionic adrenergic blocking agent formerly used for the management of hypertension, it has been largely superseded by other drugs less likely to cause orthostatic hypotension (dizzy spells on standing up or stretching). It has a role as an adrenergic antagonist and an antihypertensive agent. It contains a guanadrel(1+).

SMILES: N=C(N)NCC1COC2(CCCCC2)O1.N=C(N)NCC1COC2(CCCCC2)O1.O=S(=O)(O)O

SELFIES: [N][=C][Branch1][C][N][N][C][C][C][O][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][O][Ring1][#Branch2].[N][=C][Branch1][C][N][N][C][C][C][O][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][O][Ring1][#Branch2].[O][=S][=Branch1][C][=O][Branch1][C][O][O]

InChI: InChI=1S/2C10H19N3O2.H2O4S/c2*11-9(12)13-6-8-7-14-10(15-8)4-2-1-3-5-10;1-5(2,3)4/h2*8H,1-7H2,(H4,11,12,13);(H2,1,2,3,4)

Molecular Properties:
- Polar Surface Area: 249.0 Ų
- LogP: nan