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(Q62086730)
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English
phenadoxone hydrochloride
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
387.19650688
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₃H₃₀ClNO₂
0 references
canonical SMILES
CCC(=O)C(CC(C)N1CCOCC1)(C2=CC=CC=C2)C3=CC=CC=C3.Cl
0 references
Identifiers
InChI
InChI=1S/C23H29NO2.ClH/c1-3-22(25)23(20-10-6-4-7-11-20,21-12-8-5-9-13-21)18-19(2)24-14-16-26-17-15-24;/h4-13,19H,3,14-18H2,1-2H3;1H
0 references
InChIKey
QGUPBYVADAJUNT-UHFFFAOYSA-N
0 references
CAS Registry Number
545-91-5
1 reference
InChIKey
QGUPBYVADAJUNT-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=545-91-5
PubChem CID
11019
1 reference
matched by identifier from
InChIKey
InChIKey
QGUPBYVADAJUNT-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL2032631
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QGUPBYVADAJUNT-UHFFFAOYSA-N
UniChem compound ID
30954330
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00969688
1 reference
matched by identifier from
InChIKey
InChIKey
QGUPBYVADAJUNT-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID601397238
0 references
UNII
JPI3X77W99
1 reference
matched by identifier from
InChIKey
InChIKey
QGUPBYVADAJUNT-UHFFFAOYSA-N
SPU2L6B8L8
1 reference
matched by identifier from
InChIKey
InChIKey
QGUPBYVADAJUNT-UHFFFAOYSA-N
SX58ZM5M5J
1 reference
matched by identifier from
InChIKey
InChIKey
QGUPBYVADAJUNT-UHFFFAOYSA-N
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