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trans-Isomorphine hydrochloride
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(6alpha)-17-Methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol--hydrogen chloride (1/1)
1 reference
based on heuristic
inferred from SMILES
mass
321.11317118
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
14-alpha-Morphinan-3,6-alpha-diol, 7,8-didehydro-4,5-alpha-epoxy-17-methyl-, hydrochloride
1 reference
based on heuristic
inferred from InChI
morphine hydrochloride
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₇H₂₀ClNO₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CN1CCC23c4c5ccc(O)c4OC2C(O)C=CC3C1C5.Cl
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](O)C=C[C@@H]3[C@H]1C5.Cl
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C17H19NO3.ClH/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;/h2-5,10-11,13,16,19-20H,6-8H2,1H3;1H/t10-,11-,13-,16+,17+;/m1./s1
0 references
InChIKey
XCKKIKBIPZJUET-SHFALZIZSA-N
0 references
CAS Registry Number
28379-51-3
0 references
PubChem CID
5493068
1 reference
matched by identifier from
InChIKey
InChIKey
XCKKIKBIPZJUET-SHFALZIZSA-N
DSSTox substance ID
DTXSID20182610
1 reference
matched by identifier from
InChIKey
InChIKey
XCKKIKBIPZJUET-SHFALZIZSA-N
DSSTOX compound identifier
DTXCID60105101
0 references
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