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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:77455 - bupivacaine(1+)
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ChEBI Name
bupivacaine(1+)
ChEBI ID
CHEBI:77455
Definition
A racemate composed of equimolar amounts of dextrobupivacaine(1+) and levobupivacaine(1+).
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C18H29N2O
Net Charge
+1
Average Mass
289.43510
Monoisotopic Mass
289.22744
InChI
InChI=1S/C18H28N2O/c1-
4-
5-
12-
20-
13-
7-
6-
11-
16(20)
18(21)
19-
17-
14(2)
9-
8-
10-
15(17)
3/h8-
10,16H,4-
7,11-
13H2,1-
3H3,(H,19,21)
/p+1
InChIKey
LEBVLXFERQHONN-UHFFFAOYSA-O
SMILES
CCCC[NH+]1CCCCC1C(=O)Nc1c(C)cccc1C
ChEBI Ontology
Outgoing
bupivacaine(1+) (
CHEBI:77455
)
has part
dextrobupivacaine(1+) (
CHEBI:77459
)
bupivacaine(1+) (
CHEBI:77455
)
has part
levobupivacaine(1+) (
CHEBI:77458
)
bupivacaine(1+) (
CHEBI:77455
)
is a
racemate (
CHEBI:60911
)
bupivacaine(1+) (
CHEBI:77455
)
is conjugate acid of
bupivacaine (
CHEBI:3215
)
Incoming
bupivacaine hydrochloride (anhydrous) (
CHEBI:31322
)
has part
bupivacaine(1+) (
CHEBI:77455
)
bupivacaine (
CHEBI:3215
)
is conjugate base of
bupivacaine(1+) (
CHEBI:77455
)
IUPAC Name
rac
-1-butyl-2-[(2,6-dimethylphenyl)carbamoyl]piperidinium
Synonym
Source
bupivacaine cation
ChEBI
Last Modified
24 February 2014