Molecule ID: 73416021

IUPAC Name: 5-[(1R)-1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol;sulfuric acid

Description: The molecule is an alkylammonium sulfate obtained by combining (R)-orciprenaline and sulfuric acid in a 2:1 ratio. It contains a (R)-orciprenaline(1+). It is an enantiomer of a (S)-orciprenaline sulfate.

SMILES: CC(C)NC[C@H](O)c1cc(O)cc(O)c1.CC(C)NC[C@H](O)c1cc(O)cc(O)c1.O=S(=O)(O)O

SELFIES: [C][C][Branch1][C][C][N][C][C@H1][Branch1][C][O][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2].[C][C][Branch1][C][C][N][C][C@H1][Branch1][C][O][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2].[O][=S][=Branch1][C][=O][Branch1][C][O][O]

InChI: InChI=1S/2C11H17NO3.H2O4S/c2*1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8;1-5(2,3)4/h2*3-5,7,11-15H,6H2,1-2H3;(H2,1,2,3,4)/t2*11-;/m00./s1

Molecular Properties:
- Polar Surface Area: 228.0 Ų
- LogP: nan