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(Q82077461)
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Buphanisine
chemical compound
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No label defined
No description defined
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Statements
instance of
group of stereoisomers
0 references
subclass of
5,10b-ethanophenanthridine alkaloid
1 reference
inferred from
5,10b-ethanophenanthridine alkaloid
mass
285.136493468
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₇H₁₉NO₃
0 references
canonical SMILES
O1C=2C=C3C(=CC2OC1)C45C=CC(OC)CC5N(C3)CC4
0 references
isomeric SMILES
COC1C=C[C@@]23CCN(Cc4cc5c(cc42)OCO5)[C@@H]3C1
0 references
Identifiers
InChI
InChI=1S/C17H19NO3/c1-19-12-2-3-17-4-5-18(16(17)7-12)9-11-6-14-15(8-13(11)17)21-10-20-14/h2-3,6,8,12,16H,4-5,7,9-10H2,1H3/t12?,16-,17-/m1/s1
0 references
InChIKey
HATSAIPBKRRCME-RIJFORKLSA-N
0 references
CAS Registry Number
468-22-4
0 references
PubChem CID
338024
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
HATSAIPBKRRCME-RIJFORKLSA-N
UniChem compound ID
46858239
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90320365
1 reference
matched by identifier from
InChIKey
InChIKey
HATSAIPBKRRCME-RIJFORKLSA-N
DSSTOX compound identifier
DTXCID70271487
0 references
NSC number
358662
0 references
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