1,3,4,5-Tetrahydro-3-[3-[[[(7S)-3-hydroxy-4-methoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl]methylamino]propyl]-7,8-dimethoxy-2H-3-benzazepin-2-one

CAS Registry Number®

304464-98-0
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CAS Name

1,3,4,5-Tetrahydro-3-[3-[[[(7S)-3-hydroxy-4-methoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl]methylamino]propyl]-7,8-dimethoxy-2H-3-benzazepin-2-one

Molecular Formula

C26H34N2O5

Molecular Mass

454.56

Cite this Page

1,3,4,5-Tetrahydro-3-[3-[[[(7S)-3-hydroxy-4-methoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl]methylamino]propyl]-7,8-dimethoxy-2H-3-benzazepin-2-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=304464-98-0 (retrieved 2024-05-20) (CAS RN: 304464-98-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H34N2O5/c1-27(16-20-10-19-11-22(29)23(31-2)15-21(19)20)7-5-8-28-9-6-17-12-24(32-3)25(33-4)13-18(17)14-26(28)30/h11-13,15,20,29H,5-10,14,16H2,1-4H3/t20-/m1/s1

InChIKey

InChIKey=CKPWHHKAGYLHEU-HXUWFJFHSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 2H-3-Benzazepin-2-one, 1,3,4,5-tetrahydro-3-[3-[[[(7S)-3-hydroxy-4-methoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl]methylamino]propyl]-7,8-dimethoxy-
  • 1,3,4,5-Tetrahydro-3-[3-[[[(7S)-3-hydroxy-4-methoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl]methylamino]propyl]-7,8-dimethoxy-2H-3-benzazepin-2-one
  • S 33172

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