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(Q82249868)
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R(-)-TNPA HBr
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
aporphine alkaloids
1 reference
based on heuristic
inferred from SMILES
mass
391.07830566399997
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₂₂BrNO₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCN1CCC2=C3C1CC4=C(C3=CC(=C2)O)C(=C(C=C4)O)O.Br
0 references
isomeric SMILES
CCCN1CCC2=C3[C@H]1CC4=C(C3=CC(=C2)O)C(=C(C=C4)O)O.Br
0 references
Identifiers
InChI
InChI=1S/C19H21NO3.BrH/c1-2-6-20-7-5-12-8-13(21)10-14-17(12)15(20)9-11-3-4-16(22)19(23)18(11)14;/h3-4,8,10,15,21-23H,2,5-7,9H2,1H3;1H/t15-;/m1./s1
0 references
InChIKey
KIAIFHTWTMKEDI-XFULWGLBSA-N
0 references
CAS Registry Number
77630-02-5
reason for deprecated rank
applies to other chemical entity
intended subject of deprecated statement
(8R)-7-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,13,14-triol
0 references
79640-85-0
0 references
PubChem CID
10069059
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
KIAIFHTWTMKEDI-XFULWGLBSA-N
UniChem compound ID
989491
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00435151
0 references
DTXSID50274451
1 reference
matched by identifier from
InChIKey
InChIKey
KIAIFHTWTMKEDI-XFULWGLBSA-N
DSSTOX compound identifier
DTXCID70385977
0 references
UNII
A88V5R3JGJ
1 reference
matched by identifier from
InChIKey
InChIKey
KIAIFHTWTMKEDI-XFULWGLBSA-N
Probes And Drugs ID
PD015217
0 references
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