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English
(3R,4S)-3-methylfentanyl
chemical compound
(+)-cis-3-methylfentanyl
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Statements
instance of
type of chemical entity
0 references
subclass of
cis-3-methylfentanyl
0 references
mass
350.23581357999996
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
(3S,4R)-3-methylfentanyl
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(3R,4R)-3-methylfentanyl
1 reference
based on heuristic
inferred from InChI
(3S,4S)-3-methylfentanyl
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₃H₃₀N₂O
0 references
canonical SMILES
O=C(N(C=1C=CC=CC1)C2CCN(CCC=3C=CC=CC3)CC2C)CC
0 references
isomeric SMILES
CCC(=O)N([C@H]1CCN(C[C@H]1C)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/t19-,22+/m1/s1
0 references
InChIKey
MLQRZXNZHAOCHQ-KNQAVFIVSA-N
0 references
CAS Registry Number
53758-22-8
1 reference
InChIKey
MLQRZXNZHAOCHQ-KNQAVFIVSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=53758-22-8
ChemSpider ID
2304549
0 references
PubChem CID
3041260
1 reference
matched by identifier from
InChIKey
InChIKey
MLQRZXNZHAOCHQ-KNQAVFIVSA-N
ChEMBL ID
CHEMBL12391
0 references
UniChem compound ID
58855
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50202032
1 reference
matched by identifier from
InChIKey
InChIKey
MLQRZXNZHAOCHQ-KNQAVFIVSA-N
DSSTOX compound identifier
DTXCID50124523
0 references
UNII
9M8WAZ5Y3E
1 reference
matched by identifier from
InChIKey
InChIKey
MLQRZXNZHAOCHQ-KNQAVFIVSA-N
P57PR7Y64W
1 reference
matched by identifier from
InChIKey
InChIKey
MLQRZXNZHAOCHQ-KNQAVFIVSA-N
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