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English
AC1LE1S5
chemical compound
(S)-1-Methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
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Statements
instance of
type of chemical entity
0 references
subclass of
tetrahydroharman
1 reference
based on heuristic
inferred from SMILES
mass
186.115698448
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
Tetrahydroharman
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₂H₁₄N₂
0 references
canonical SMILES
C=1C=CC2=C(C1)NC3=C2CCNC3C
0 references
isomeric SMILES
C[C@H]1C2=C(CCN1)C3=CC=CC=C3N2
0 references
found in taxon
Arundo donax
1 reference
stated in
Occurrence of curarimimetic indoles in the flowers of Arundo donax
Identifiers
InChI
InChI=1S/C12H14N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-5,8,13-14H,6-7H2,1H3/t8-/m0/s1
0 references
InChIKey
LPIJOZBIVDCQTE-QMMMGPOBSA-N
0 references
CAS Registry Number
23844-21-5
0 references
PubChem CID
704991
1 reference
matched by identifier from
InChIKey
InChIKey
LPIJOZBIVDCQTE-QMMMGPOBSA-N
UniChem compound ID
8674541
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70351617
1 reference
matched by identifier from
InChIKey
InChIKey
LPIJOZBIVDCQTE-QMMMGPOBSA-N
DSSTOX compound identifier
DTXCID10302683
0 references
PDB ligand ID
QGK
0 references
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