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kelatorphan
(Q6385498)
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From Wikidata
chemical compound
N-[(2R)-2-benzyl-4-(hydroxyamino)-4-oxobutanoyl]-L-alanine
edit
Language
Label
Description
Also known as
default for all languages
No label defined
–
English
kelatorphan
chemical compound
N-[(2R)-2-benzyl-4-(hydroxyamino)-4-oxobutanoyl]-L-alanine
Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
294.122±0
dalton
1 reference
stated in
PubChem
PubChem CID
123982
language of work or name
English
title
kelatorphan
(English)
retrieved
19 October 2016
chemical formula
C₁₄H₁₈N₂O₅
1 reference
stated in
PubChem
PubChem CID
123982
language of work or name
English
title
kelatorphan
(English)
retrieved
20 November 2016
canonical SMILES
CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)CC(=O)NO
1 reference
stated in
PubChem
PubChem CID
123982
language of work or name
English
title
kelatorphan
(English)
retrieved
20 November 2016
isomeric SMILES
C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)CC(=O)NO
1 reference
stated in
PubChem
PubChem CID
123982
language of work or name
English
title
kelatorphan
(English)
retrieved
20 November 2016
subject has role
analgesic
1 reference
stated in
Medical Subject Headings
MeSH descriptor ID
C042591
retrieved
15 March 2018
Identifiers
InChI
InChI=1S/C14H18N2O5/c1-9(14(19)20)15-13(18)11(8-12(17)16-21)7-10-5-3-2-4-6-10/h2-6,9,11,21H,7-8H2,1H3,(H,15,18)(H,16,17)(H,19,20)/t9-,11+/m0/s1
1 reference
stated in
PubChem
PubChem CID
123982
language of work or name
English
title
kelatorphan
(English)
retrieved
20 November 2016
InChIKey
OJCFZTVYDSKXNM-GXSJLCMTSA-N
1 reference
stated in
PubChem
PubChem CID
123982
language of work or name
English
title
kelatorphan
(English)
retrieved
20 November 2016
CAS Registry Number
92175-57-0
2 references
stated in
Global Substance Registration System
UNII
46BBW2U5D6
language of work or name
English
title
kelatorphan
(English)
retrieved
20 November 2016
InChIKey
OJCFZTVYDSKXNM-GXSJLCMTSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=92175-57-0
ChemSpider ID
110501
1 reference
stated in
ChemSpider
ChemSpider ID
110501
language of work or name
English
title
Kelatorphan
(English)
retrieved
20 November 2016
PubChem CID
123982
2 references
stated in
PubChem
PubChem CID
123982
language of work or name
English
title
kelatorphan
(English)
retrieved
20 November 2016
matched by identifier from
InChIKey
InChIKey
OJCFZTVYDSKXNM-GXSJLCMTSA-N
ChEMBL ID
CHEMBL85320
1 reference
stated in
ChEMBL
ChEMBL ID
CHEMBL85320
language of work or name
English
title
KELATORPHAN
(English)
retrieved
20 November 2016
UniChem compound ID
446084
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90238911
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
OJCFZTVYDSKXNM-GXSJLCMTSA-N
DSSTOX compound identifier
DTXCID40161402
0 references
MeSH descriptor ID
C042591
1 reference
stated in
Medical Subject Headings
MeSH descriptor ID
C042591
retrieved
14 March 2018
DrugBank ID
DB08040
1 reference
matched by identifier from
InChIKey
InChIKey
OJCFZTVYDSKXNM-GXSJLCMTSA-N
UNII
46BBW2U5D6
2 references
stated in
Global Substance Registration System
UNII
46BBW2U5D6
language of work or name
English
title
kelatorphan
(English)
retrieved
20 November 2016
matched by identifier from
InChIKey
InChIKey
OJCFZTVYDSKXNM-GXSJLCMTSA-N
Probes And Drugs ID
PD005227
0 references
PDB ligand ID
KEL
0 references
Freebase ID
/m/0hnd4ly
0 references
Microsoft Academic ID
2777372359
0 references
PDB structure ID
3B7U
1 reference
stated in
Protein Data Bank
PDB structure ID
3B7U
language of work or name
English
title
3B7U
(English)
retrieved
19 October 2016
UMLS CUI
C0064276
1 reference
based on heuristic
inferred by common MeSH mappings on source and on Wikidata
stated in
UMLS 2023
retrieved
25 May 2023
Sitelinks
Wikipedia
(4 entries)
edit
enwiki
Kelatorphan
jawiki
ケラトルファン
shwiki
Kelatorfan
srwiki
Kelatorfan
Wikibooks
(0 entries)
edit
Wikinews
(0 entries)
edit
Wikiquote
(0 entries)
edit
Wikisource
(0 entries)
edit
Wikiversity
(0 entries)
edit
Wikivoyage
(0 entries)
edit
Wiktionary
(0 entries)
edit
Multilingual sites
(0 entries)
edit
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