2H-3-Benzazepin-2-one, 3-[3-[[[(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl]methylamino]propyl]-1,3,4,5-tetrahydro-7,8-dimethoxy-, ethanedioate (1:1)

CAS Registry Number®

1086026-42-7
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CAS Name

2H-3-Benzazepin-2-one, 3-[3-[[[(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl]methylamino]propyl]-1,3,4,5-tetrahydro-7,8-dimethoxy-, ethanedioate (1:1)

Molecular Formula

C27H36N2O5.C2H2O4

Cite this Page

2H-3-Benzazepin-2-one, 3-[3-[[[(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl]methylamino]propyl]-1,3,4,5-tetrahydro-7,8-dimethoxy-, ethanedioate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1086026-42-7 (retrieved 2024-04-24) (CAS RN: 1086026-42-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H36N2O5.C2H2O4/c1-28(17-21-11-20-14-25(33-4)26(34-5)16-22(20)21)8-6-9-29-10-7-18-12-23(31-2)24(32-3)13-19(18)15-27(29)30;3-1(4)2(5)6/h12-14,16,21H,6-11,15,17H2,1-5H3;(H,3,4)(H,5,6)/t21-;/m1./s1

InChIKey

InChIKey=BOHZBFAHOBOJOS-ZMBIFBSDSA-N

SMILES

C(N(CCCN1C(=O)CC=2C(CC1)=CC(OC)=C(OC)C2)C)[C@@H]3C=4C(C3)=CC(OC)=C(OC)C4.C(C(O)=O)(O)=O

Canonical SMILES

O=C(O)C(=O)O.O=C1N(CCC2=CC(OC)=C(OC)C=C2C1)CCCN(C)CC3C4=CC(OC)=C(OC)C=C4C3

Other Names for this Substance

  • 2H-3-Benzazepin-2-one, 3-[3-[[[(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl]methylamino]propyl]-1,3,4,5-tetrahydro-7,8-dimethoxy-, ethanedioate (1:1)

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