1,2-Benzenediol, 4-[hydroxy[1,2,3,4-tetrahydro-7-hydroxy-6-methoxy-2-methyl-8-[(1,2,3,4-tetrahydro-6-methoxy-2-methyl-7-isoquinolinyl)oxy]-1-isoquinolinyl]methyl]-, [R-(R*,R*)]-

CAS Registry Number®

169626-12-4

CAS Name

1,2-Benzenediol, 4-[hydroxy[1,2,3,4-tetrahydro-7-hydroxy-6-methoxy-2-methyl-8-[(1,2,3,4-tetrahydro-6-methoxy-2-methyl-7-isoquinolinyl)oxy]-1-isoquinolinyl]methyl]-, [R-(R*,R*)]-

Molecular Formula

C29H34N2O7

Molecular Mass

522.59

Cite this Page

1,2-Benzenediol, 4-[hydroxy[1,2,3,4-tetrahydro-7-hydroxy-6-methoxy-2-methyl-8-[(1,2,3,4-tetrahydro-6-methoxy-2-methyl-7-isoquinolinyl)oxy]-1-isoquinolinyl]methyl]-, [R-(R*,R*)]-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=169626-12-4 (retrieved 2024-11-25) (CAS RN: 169626-12-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H34N2O7/c1-30-9-7-16-12-22(36-3)23(14-19(16)15-30)38-29-25-17(13-24(37-4)28(29)35)8-10-31(2)26(25)27(34)18-5-6-20(32)21(33)11-18/h5-6,11-14,26-27,32-35H,7-10,15H2,1-4H3/t26-,27-/m1/s1

InChIKey

InChIKey=AYINLWLMPMZNKE-KAYWLYCHSA-N

SMILES

O(C1=C2[C@]([C@H](O)C3=CC(O)=C(O)C=C3)(N(C)CCC2=CC(OC)=C1O)[H])C4=C(OC)C=C5C(=C4)CN(C)CC5

Canonical SMILES

OC1=CC=C(C=C1O)C(O)C2C3=C(OC=4C=C5C(=CC4OC)CCN(C)C5)C(O)=C(OC)C=C3CCN2C

Other Names for this Substance

  • 1,2-Benzenediol, 4-[hydroxy[1,2,3,4-tetrahydro-7-hydroxy-6-methoxy-2-methyl-8-[(1,2,3,4-tetrahydro-6-methoxy-2-methyl-7-isoquinolinyl)oxy]-1-isoquinolinyl]methyl]-, [R-(R*,R*)]-
  • Bargustanine

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