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(Q105290238)
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English
pentazocine
group of stereoisomers with the chemical formula C₁₉H₂₇NO
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Statements
instance of
group of stereoisomers
0 references
subclass of
alkaloid
1 reference
inferred from
alkaloid
mass
285.209264484
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₂₇NO
0 references
canonical SMILES
OC1=CC=C2C(=C1)C3(C)CCN(CC=C(C)C)C(C2)C3C
0 references
found in taxon
Papaver somniferum
1 reference
stated in
Chemiluminescence detection of opium poppy (Papaver somniferum) alkaloids
Identifiers
InChI
InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3
0 references
InChIKey
VOKSWYLNZZRQPF-UHFFFAOYSA-N
0 references
CAS Registry Number
55643-30-6
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
4736
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VOKSWYLNZZRQPF-UHFFFAOYSA-N
ChEBI ID
182080
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3
SureChEMBL ID
SCHEMBL2493
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VOKSWYLNZZRQPF-UHFFFAOYSA-N
UniChem compound ID
501564
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30859346
1 reference
matched by identifier from
InChIKey
InChIKey
VOKSWYLNZZRQPF-UHFFFAOYSA-N
DrugBank ID
DB00652
1 reference
matched by identifier from
InChIKey
InChIKey
VOKSWYLNZZRQPF-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0243543
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VOKSWYLNZZRQPF-UHFFFAOYSA-N
Probes And Drugs ID
PD073345
0 references
DrugCentral ID
3424
1 reference
stated in
UniChem
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