1-(4-hydroxy-3-methoxy-phenyl)-3,4-dihydro-1H-isoquinoline-4,6-diol; 6-hydroxy-6-oxo-hexanoate
Molecular Formula:
C22H27NO8
InChI: InChI=1/C16H17NO4.C6H10O4/c1-21-15-6-9(2-5-13(15)19)16-11-4-3-10(18)7-12(11)14(20)8-17-16;7-5(8)3-1-2-4-6(9)10/h2-7,14,16-20H,8H2,1H3;1-4H2,(H,7,8)(H,9,10)/fC16H18NO4.C6H9O4/h17H;7H/q+1;-1
InChIKey: InChIKey=QQEDQRQKXRZEAN-YRPNCRNBCH
SMILES: COC1=C(C=CC(=C1)C2C3=C(C=C(C=C3)O)C(C[NH2+]2)O)O.C(CCC(=O)[O-])CC(=O)O
Names:
1,2,3,4-Tetrahydro-1-(4-hydroxy-3-methoxyphenyl)-4,6-isoquinolinediol hexanedioate H2O (4:2:1)
1-(4-hydroxy-3-methoxy-phenyl)-3,4-dihydro-1H-isoquinoline-4,6-diol; 6-hydroxy-6-oxo-hexanoate
4,6-Isoquinolinediol, 1,2,3,4-tetrahydro-1-(4-hydroxy-3-methoxyphenyl)-, hexanedioate, hydrate (4:2:1)
4,6-ISOQUINOLINEDIOL, 1,2,3,4-TETRAHYDRO-1-(4-HYDROXY-3-METHOXYPHENYL)-, HEXANED
79677-09-1
Registries:
PubChem CID 54416
PubChem ID 192012
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