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English
6-Ethyl-3-[(1-hydroxycyclopropyl)methyl]-11,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol--hydrogen chloride (1/1)
group of stereoisomers with the chemical formula C₂₀H₃₀ClNO₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
351.19650688
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₃₀ClNO₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCC12CCN(CC3(O)CC3)C(Cc3ccc(O)cc31)C2(C)C.Cl
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC[C@]12CCN(CC3(O)CC3)C(Cc3ccc(O)cc31)C2(C)C.Cl
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C20H29NO2.ClH/c1-4-20-9-10-21(13-19(23)7-8-19)17(18(20,2)3)11-14-5-6-15(22)12-16(14)20;/h5-6,12,17,22-23H,4,7-11,13H2,1-3H3;1H/t17?,20-;/m0./s1
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InChIKey
JNTDEEXUEKTYKU-FWCANSBWSA-N
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CAS Registry Number
74100-60-0
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PubChem CID
53299310
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
JNTDEEXUEKTYKU-FWCANSBWSA-N
UniChem compound ID
23793196
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80995546
1 reference
matched by identifier from
InChIKey
InChIKey
JNTDEEXUEKTYKU-FWCANSBWSA-N
DSSTOX compound identifier
DTXCID701422571
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