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rel-(3aR,7aR)-3a-(3,4-Dimethoxyphenyl)octahydro-1-methyl-6H-indol-6-one

rel-(3aR,7aR)-3a-(3,4-Dimethoxyphenyl)octahydro-1-methyl-6H-indol-6-one structure

CAS No:
6023-73-0
Formula:
C17H23NO3
Chemical Name:
rel-(3aR,7aR)-3a-(3,4-Dimethoxyphenyl)octahydro-1-methyl-6H-indol-6-one
Synonyms:
6H-Indol-6-one,3a-(3,4-dimethoxyphenyl)octahydro-1-methyl-,(3aR,7aR)-rel-;Mesembrine,(±)-;6H-Indol-6-one,3a-(3,4-dimethoxyphenyl)octahydro-1-methyl-,cis-(±)-;rel-(3aR,7aR)-3a-(3,4-Dimethoxyphenyl)octahydro-1-methyl-6H-indol-6-one;(±)-Mesembrine;(±)-Mesembranone;DL-Mesembrine;6H-Indol-6-one,3a-(3,4-dimethoxyphenyl)octahydro-1-methyl-,cis-;(3aS*,7aS*)-3a-(3,4-Dimethoxyphenyl)-1-methyloctahydro-6H-indol-6-one;35056-47-4

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rel-(3aR,7aR)-3a-(3,4-Dimethoxyphenyl)octahydro-1-methyl-6H-indol-6-one Basic Attributes

Molecular Weight：

289.4 g/mol

Exact Mass：

289.37

UNII：

P5X28MLQ1Z

Characteristics

PSA：

38.8 Å²

Boiling Point：

178 °C @ Press: 0.07 Torr

Drug Information

MeSH Entry Terms：

mesembrine

Computed Properties

Molecular Weight:289.4
XLogP3:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:289.16779360
Monoisotopic Mass:289.16779360
Topological Polar Surface Area:38.8
Heavy Atom Count:21
Complexity:400
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of rel-(3aR,7aR)-3a-(3,4-Dimethoxyphenyl)octahydro-1-methyl-6H-indol-6-one

Basic Attributes
Characteristics
Drug Information
Computed Properties

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