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(3S,5R)-3-(methylamino)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol

(3S,5R)-3-(methylamino)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol structure

CAS No:
77416-65-0
Formula:
C11H15NO2
Chemical Name:
(3S,5R)-3-(methylamino)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
Synonyms:
2,3,4,5,-tetrahydro-3-(methylamino)-1-benzoxepin-5-ol;exepanol;KC 2450;KC-2450;Exepanol;(3S,5R)-3-(methylamino)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol;77416-65-0;Exepanol [INN];Exepanolum;Exepanolum [INN-Latin];SCHEMBL2110317;CHEMBL2104275;ZINC4215979;(+-)-cis-2,3,4,5-Tetrahydro-3-(methylamino)-1-benzoxepin-5-ol;1-Benzoxepin-5-ol, 2,3,4,5-tetrahydro-3-(methylamino)-, cis-(+-)-;AKOS006272296;Q27261828;Z2677307838;UNII-5CF9F84B3A component JWUPWOYNGNTOKD-WCBMZHEXSA-N;(3beta,5beta)-2,3,4,5-Tetrahydro-3-(methylamino)-1-benzoxepin-5-ol;1821726-77-5

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(3S,5R)-3-(methylamino)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol Basic Attributes

Molecular Weight：

193.24 g/mol

Exact Mass：

193.110278721 g/mol

Characteristics

PSA：

41.5 Å²

Drug Information

MeSH Entry Terms：

2,3,4,5,-tetrahydro-3-(methylamino)-1-benzoxepin-5-ol

Computed Properties

Molecular Weight:193.24
XLogP3:0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:193.110278721
Monoisotopic Mass:193.110278721
Topological Polar Surface Area:41.5
Heavy Atom Count:14
Complexity:186
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (3S,5R)-3-(methylamino)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol

Basic Attributes
Characteristics
Drug Information
Computed Properties

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