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(Q82903743)
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English
3-[2-(4-Azidophenyl)ethyl]-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
362.21066145199995
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₂H₂₆N₄O
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canonical SMILES
CC1C2Cc3ccc(O)cc3C1(C)CCN2CCc1ccc(N=[N+]=[N-])cc1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@@H]1[C@@H]2CC3=C([C@]1(CCN2CCC4=CC=C(C=C4)N=[N+]=[N-])C)C=C(C=C3)O
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Identifiers
InChI
InChI=1S/C22H26N4O/c1-15-21-13-17-5-8-19(27)14-20(17)22(15,2)10-12-26(21)11-9-16-3-6-18(7-4-16)24-25-23/h3-8,14-15,21,27H,9-13H2,1-2H3/t15-,21+,22+/m1/s1
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InChIKey
GQTRBIHWSNSGTH-YDFBLROQSA-N
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CAS Registry Number
135250-44-1
1 reference
InChIKey
GQTRBIHWSNSGTH-YDFBLROQSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=135250-44-1
PubChem CID
44149594
1 reference
matched by identifier from
InChIKey
InChIKey
GQTRBIHWSNSGTH-YDFBLROQSA-N
UniChem compound ID
47688311
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90928921
1 reference
matched by identifier from
InChIKey
InChIKey
GQTRBIHWSNSGTH-YDFBLROQSA-N
DSSTOX compound identifier
DTXCID801357680
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