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English
trans-3-methylfentanyl
group of stereoisomers
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Statements
instance of
group of stereoisomers
0 references
subclass of
3-methylfentanyl
0 references
mass
350.23581357999996
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₃H₃₀N₂O
0 references
canonical SMILES
CCC(=O)N(C1CCN(CC1C)CCC2=CC=CC=C2)C3=CC=CC=C3
0 references
Identifiers
InChI
InChI=1S/C23H30N2O/c1-3-23(26)25(21-12-8-5-9-13-21)22-15-17-24(18-19(22)2)16-14-20-10-6-4-7-11-20/h4-13,19,22H,3,14-18H2,1-2H3
1 reference
based on heuristic
inferred from SMILES
InChIKey
MLQRZXNZHAOCHQ-UHFFFAOYSA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
78995-17-2
0 references
PubChem CID
61996
1 reference
matched by identifier from
InChIKey
InChIKey
MLQRZXNZHAOCHQ-UHFFFAOYSA-N
ChEBI ID
61092
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C23H30N2O/c1-3-23(26)25(21-12-8-5-9-13-21)22-15-17-24(18-19(22)2)16-14-20-10-6-4-7-11-20/h4-13,19,22H,3,14-18H2,1-2H3
DSSTox substance ID
DTXSID30962228
1 reference
matched by identifier from
InChIKey
InChIKey
MLQRZXNZHAOCHQ-UHFFFAOYSA-N
DrugBank ID
DB01571
1 reference
matched by identifier from
InChIKey
InChIKey
MLQRZXNZHAOCHQ-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0243534
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MLQRZXNZHAOCHQ-UHFFFAOYSA-N
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