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(Q81983000)
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English
(1S,2S)-1-(2,5-Dimethoxyphenyl)-1-hydroxy-N-(2-methyl-2-propanyl)-2-propanaminium chloride
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
303.160121372
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Butoxamine hydrochloride
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
butoxamine hydrochloride
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₆ClNO₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
COc1ccc(OC)c(C(O)C(C)NC(C)(C)C)c1.Cl
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
COc1ccc(OC)c([C@H](O)[C@H](C)NC(C)(C)C)c1.Cl
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C15H25NO3.ClH/c1-10(16-15(2,3)4)14(17)12-9-11(18-5)7-8-13(12)19-6;/h7-10,14,16-17H,1-6H3;1H/t10-,14+;/m0./s1
0 references
InChIKey
URPAECSKKQLCII-IMVWOWLCSA-N
0 references
CAS Registry Number
21062-65-7
0 references
PubChem CID
138394626
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
167145238
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60897110
0 references
DSSTOX compound identifier
DTXCID301326539
0 references
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