(3S,4aS,8aS)-2-[(2R,3S)-3-Amino-2-hydroxy-4-phenylbutyl]-N-(1,1-dimethylethyl)decahydro-3-isoquinolinecarboxamide
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![(3S,4aS,8aS)-2-[(2R,3S)-3-Amino-2-hydroxy-4-phenylbutyl]-N-(1,1-dimethylethyl)decahydro-3-isoquinolinecarboxamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/4dfe21be5ee241849b8a0b012891ca14.png "(3S,4aS,8aS)-2-[(2R,3S)-3-Amino-2-hydroxy-4-phenylbutyl]-N-(1,1-dimethylethyl)decahydro-3-isoquinolinecarboxamide")
(3S,4aS,8aS)-2-[(2R,3S)-3-Amino-2-hydroxy-4-phenylbutyl]-N-(1,1-dimethylethyl)decahydro-3-isoquinolinecarboxamide
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CAS No:
136522-17-3
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Formula:
C24H39N3O2
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Chemical Name:
(3S,4aS,8aS)-2-[(2R,3S)-3-Amino-2-hydroxy-4-phenylbutyl]-N-(1,1-dimethylethyl)decahydro-3-isoquinolinecarboxamide
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Synonyms:
3-Isoquinolinecarboxamide,2-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-(1,1-dimethylethyl)decahydro-,(3S,4aS,8aS)-;3-Isoquinolinecarboxamide,2-(3-amino-2-hydroxy-4-phenylbutyl)-N-(1,1-dimethylethyl)decahydro-,[3S-[2(2S*,3R*),3α,4aβ,8aβ]]-;(3S,4aS,8aS)-2-[(2R,3S)-3-Amino-2-hydroxy-4-phenylbutyl]-N-(1,1-dimethylethyl)decahydro-3-isoquinolinecarboxamide;158849-40-2
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CAS No:
(3S,4aS,8aS)-2-[(2R,3S)-3-Amino-2-hydroxy-4-phenylbutyl]-N-(1,1-dimethylethyl)decahydro-3-isoquinolinecarboxamide Basic Attributes
401.59
401.59
430-230-0
DTXSID90628696
Safety Information
22-52/53
22-61
Xn
|Warning|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P273, P301+P312, P330, and P501
(3S,4aS,8aS)-2-[(2R,3S)-3-Amino-2-hydroxy-4-phenylbutyl]-N-(1,1-dimethylethyl)decahydro-3-isoquinolinecarboxamide Use and Manufacturing
(3S,4aS,8aS)-
Computed Properties
Molecular Weight:401.6
XLogP3:3.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:401.30422750
Monoisotopic Mass:401.30422750
Topological Polar Surface Area:78.6
Heavy Atom Count:29
Complexity:527
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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