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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:3243 - butorphanol
D
-tartrate
Main
ChEBI Ontology
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ChEBI Name
butorphanol
D
-tartrate
ChEBI ID
CHEBI:3243
ChEBI ASCII Name
butorphanol D-tartrate
Definition
The (
S
,
S
)-tartaric acid salt of butorphanol. It is used for relief or moderate to severe pain.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:176963
Supplier Information
Download
Molfile
XML
SDF
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Molfile
Formula
C25H35NO8
Net Charge
0
Average Mass
477.54730
Monoisotopic Mass
477.23627
InChI
InChI=1S/C21H29NO2.C4H6O6/c23-
17-
7-
6-
16-
12-
19-
21(24)
9-
2-
1-
8-
20(21,18(16)
13-
17)
10-
11-
22(19)
14-
15-
4-
3-
5-
15;5-
1(3(7)
8)
2(6)
4(9)
10/h6-
7,13,15,19,23-
24H,1-
5,8-
12,14H2;1-
2,5-
6H,(H,7,8)
(H,9,10)
/t19-
,20+,21-
;1-
,2-
/m10/s1
InChIKey
GMTYREVWZXJPLF-AFHUBHILSA-N
SMILES
O[C@@H]([C@H](O)C(O)=O)C(O)=O.Oc1ccc2C[C@H]3N(CC[C@@]4(CCCC[C@@]34O)c2c1)CC1CCC1
Roles Classification
Biological Role
(s):
kappa-opioid receptor agonist
A compound that exhibits agonist activity at the
kappa
-opioid receptor.
mu-opioid receptor agonist
A compound that exhibits agonist activity at the
mu
-opioid receptor.
opioid analgesic
A narcotic or opioid substance, synthetic or semisynthetic agent producing profound analgesia, drowsiness, and changes in mood.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via
alkaloid
)
Application
(s):
kappa-opioid receptor agonist
A compound that exhibits agonist activity at the
kappa
-opioid receptor.
mu-opioid receptor agonist
A compound that exhibits agonist activity at the
mu
-opioid receptor.
opioid analgesic
A narcotic or opioid substance, synthetic or semisynthetic agent producing profound analgesia, drowsiness, and changes in mood.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
butorphanol
D
-tartrate (
CHEBI:3243
)
has part
butorphanol (
CHEBI:3242
)
butorphanol
D
-tartrate (
CHEBI:3243
)
has role
κ-opioid receptor agonist (
CHEBI:59282
)
butorphanol
D
-tartrate (
CHEBI:3243
)
has role
μ-opioid receptor agonist (
CHEBI:55322
)
butorphanol
D
-tartrate (
CHEBI:3243
)
has role
opioid analgesic (
CHEBI:35482
)
butorphanol
D
-tartrate (
CHEBI:3243
)
is a
morphinane alkaloid (
CHEBI:25418
)
butorphanol
D
-tartrate (
CHEBI:3243
)
is a
tartrate salt (
CHEBI:50562
)
IUPAC Name
17-(cyclobutylmethyl)morphinan-3,14-diol (2S,3S)-2,3-dihydroxybutanedioate
Synonyms
Sources
(−)-17-(cyclobutylmethyl)morphinan-3,14-diol
D
-(−)-tartrate
ChemIDplus
(−)-
N
-cyclobutylmethyl-3,14-dihydroxymorphinan
D
-(−)-tartrate
ChEBI
17-(cyclobutylmethyl)morphinan-3,14-diyl [
S
-(
R
*,
R
*)]-2,3-dihydroxysuccinate
ChemIDplus
butorphanol (−)-tartrate
ChEBI
butorphanol (
S
,
S
)-tartrate
ChEBI
butorphanol
D
-tartrate
ChEBI
Manual Xrefs
Databases
D00837
KEGG DRUG
DB00611
DrugBank
View more database links
Registry Numbers
Types
Sources
5234837
Beilstein Registry Number
Beilstein
58786-99-5
CAS Registry Number
ChemIDplus
58786-99-5
CAS Registry Number
KEGG DRUG
Last Modified
26 April 2010