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U-69593
(Q7862883)
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From Wikidata
chemical compound
U-69,593
N-methyl-N-((5R,7S,8S)-7-(1-pyrrolidinyl)-1-oxaspiro(4.5)dec-8-yl)-benzeneacetamide
U 69,593
(5alpha,7alpha,8beta)-(-)-N-methyl-N-(7-(1-pyrrolidinyl)-1-oxaspiro(4.5)dec-8-yl)-benzeneacetamide
U 69593
edit
Language
Label
Description
Also known as
default for all languages
No label defined
–
English
U-69593
chemical compound
U-69,593
N-methyl-N-((5R,7S,8S)-7-(1-pyrrolidinyl)-1-oxaspiro(4.5)dec-8-yl)-benzeneacetamide
U 69,593
(5alpha,7alpha,8beta)-(-)-N-methyl-N-(7-(1-pyrrolidinyl)-1-oxaspiro(4.5)dec-8-yl)-benzeneacetamide
U 69593
Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
chemical structure
U-69,593 structure.svg
390 × 257; 34 KB
0 references
chemical formula
C₂₂H₃₂N₂O₂
1 reference
stated in
PubChem
PubChem CID
105104
language of work or name
English
title
U-69593
(English)
retrieved
20 November 2016
canonical SMILES
CN(C1CCC2(CCCO2)CC1N3CCCC3)C(=O)CC4=CC=CC=C4
1 reference
stated in
PubChem
PubChem CID
105104
language of work or name
English
title
U-69593
(English)
retrieved
20 November 2016
isomeric SMILES
CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N3CCCC3)C(=O)CC4=CC=CC=C4
1 reference
stated in
PubChem
PubChem CID
105104
language of work or name
English
title
U-69593
(English)
retrieved
20 November 2016
physically interacts with
opioid receptor kappa 1
subject has role
agonist
2 references
stated in
IUPHAR/BPS Guide to PHARMACOLOGY
Guide to Pharmacology Ligand ID
1656
language of work or name
English
retrieved
17 August 2016
stated in
IUPHAR/BPS Guide to PHARMACOLOGY
Guide to Pharmacology Ligand ID
1655
language of work or name
English
retrieved
17 August 2016
Opioid receptor, kappa 1
subject has role
agonist
1 reference
stated in
IUPHAR/BPS Guide to PHARMACOLOGY
Guide to Pharmacology Ligand ID
1655
language of work or name
English
retrieved
17 August 2016
mass
356.246378±0
dalton
1 reference
stated in
PubChem
PubChem CID
105104
language of work or name
English
title
U-69593
(English)
retrieved
3 October 2016
subject has role
analgesic
1 reference
stated in
Medical Subject Headings
MeSH descriptor ID
C045444
retrieved
15 March 2018
diuretic
1 reference
stated in
Medical Subject Headings
MeSH descriptor ID
C045444
retrieved
15 March 2018
utopioid
0 references
Identifiers
InChI
InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1
1 reference
stated in
PubChem
PubChem CID
105104
language of work or name
English
title
U-69593
(English)
retrieved
20 November 2016
InChIKey
PGZRDDYTKFZSFR-ONTIZHBOSA-N
2 references
stated in
PubChem
PubChem CID
105104
language of work or name
English
title
U-69593
(English)
retrieved
20 November 2016
stated in
ChEBI release 2020-09-01
CAS Registry Number
96744-75-1
2 references
stated in
Global Substance Registration System
UNII
J5S4K6TKTG
language of work or name
English
title
u-69593
(English)
retrieved
20 November 2016
InChIKey
PGZRDDYTKFZSFR-ONTIZHBOSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=96744-75-1
ChemSpider ID
94828
1 reference
stated in
ChemSpider
ChemSpider ID
94828
language of work or name
English
title
N-Methyl-2-phenyl-N-[(5R,7S,8S)-7-(1-pyrrolidinyl)-1-oxaspiro[4.5]dec-8-yl]acetamide
(English)
retrieved
20 November 2016
PubChem CID
105104
2 references
stated in
PubChem
PubChem CID
105104
language of work or name
English
title
U-69593
(English)
retrieved
20 November 2016
matched by identifier from
InChIKey
InChIKey
PGZRDDYTKFZSFR-ONTIZHBOSA-N
Reaxys registry number
7488908
1 reference
stated in
ChEBI
ChEBI ID
73357
language of work or name
English
title
U69593
(English)
retrieved
3 October 2016
ChEBI ID
73357
mapping relation type
exact match
2 references
stated in
ChEMBL
ChEMBL ID
CHEMBL440765
language of work or name
English
title
U-69593
(English)
retrieved
20 November 2016
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1
ChEMBL ID
CHEMBL440765
1 reference
stated in
ChEMBL
ChEMBL ID
CHEMBL440765
language of work or name
English
title
U-69593
(English)
retrieved
20 November 2016
SureChEMBL ID
726034
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PGZRDDYTKFZSFR-ONTIZHBOSA-N
UniChem compound ID
370597
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID3046326
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
PGZRDDYTKFZSFR-ONTIZHBOSA-N
DSSTOX compound identifier
DTXCID1026326
0 references
Guide to Pharmacology Ligand ID
1655
1 reference
stated in
IUPHAR/BPS Guide to PHARMACOLOGY
Guide to Pharmacology Ligand ID
1655
language of work or name
English
title
U69593
(English)
retrieved
20 November 2016
1656
1 reference
stated in
IUPHAR/BPS Guide to PHARMACOLOGY
retrieved
5 February 2021
MeSH descriptor ID
C045444
1 reference
stated in
Medical Subject Headings
MeSH descriptor ID
C045444
retrieved
14 March 2018
UNII
J5S4K6TKTG
2 references
stated in
Global Substance Registration System
UNII
J5S4K6TKTG
language of work or name
English
title
u-69593
(English)
retrieved
20 November 2016
matched by identifier from
InChIKey
InChIKey
PGZRDDYTKFZSFR-ONTIZHBOSA-N
Probes And Drugs ID
PD039393
0 references
Freebase ID
/m/0br_nbf
0 references
Microsoft Academic ID
2779364459
0 references
Sitelinks
Wikipedia
(3 entries)
edit
enwiki
U-69,593
shwiki
U-69593
srwiki
U-69593
Wikibooks
(0 entries)
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Wikinews
(0 entries)
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Wikiquote
(0 entries)
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Wikisource
(0 entries)
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Wikiversity
(0 entries)
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Wikivoyage
(0 entries)
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Wiktionary
(0 entries)
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Multilingual sites
(0 entries)
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