 Home > Encyclopedia > 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-hydroxy-8-methoxy-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-hydroxy-8-methoxy-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-hydroxy-8-methoxy-2H-3-benzazepin-2-one structure

CAS No:
304462-60-0
Formula:
C26H34N2O5
Chemical Name:
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-hydroxy-8-methoxy-2H-3-benzazepin-2-one
Synonyms:
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-hydroxy-8-methoxy-;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-hydroxy-8-methoxy-2H-3-benzazepin-2-one

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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-hydroxy-8-methoxy-2H-3-benzazepin-2-one Basic Attributes

Molecular Weight：

454.55856

Exact Mass：

454.56

UNII：

4LV42424FF

DSSTox ID：

DTXSID20747566

Characteristics

PSA：

71.5

XLogP3：

2.1

Density：

1.186±0.06 g/cm3(Predicted)

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-hydroxy-8-methoxy-2H-3-benzazepin-2-one Use and Manufacturing

Ivabradine (I940500) metabolite.

Computed Properties

Molecular Weight:454.6
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:454.24677219
Monoisotopic Mass:454.24677219
Topological Polar Surface Area:71.5
Heavy Atom Count:33
Complexity:648
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 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-hydroxy-8-methoxy-2H-3-benzazepin-2-one

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

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-hydroxy-8-methoxy-2H-3-benzazepin-2-one

SDS

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