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barusiban
(Q19596024)
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From Wikidata
chemical compound
Barusiban
edit
Language
Label
Description
Also known as
default for all languages
No label defined
–
English
barusiban
chemical compound
Barusiban
Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
chemical structure
Barusiban.svg
512 × 417; 16 KB
0 references
mass
829.452±0
dalton
1 reference
stated in
PubChem
PubChem CID
9832431
language of work or name
English
title
Barusiban
(English)
retrieved
18 November 2016
chemical formula
C₄₀H₆₃N₉O₈S
1 reference
stated in
PubChem
PubChem CID
9832431
language of work or name
English
title
Barusiban
(English)
retrieved
18 November 2016
canonical SMILES
CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CCSCCC(=O)NC(C(=O)N1)CC2=CNC3=CC=CC=C32)C(=O)N(C)C(CCCN)CO)CC(=O)N)C(C)CC
1 reference
stated in
PubChem
PubChem CID
9832431
language of work or name
English
title
Barusiban
(English)
retrieved
18 November 2016
isomeric SMILES
CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCSCCC(=O)N[C@@H](C(=O)N1)CC2=CNC3=CC=CC=C32)C(=O)N(C)[C@@H](CCCN)CO)CC(=O)N)[C@H](C)CC
1 reference
stated in
PubChem
PubChem CID
9832431
language of work or name
English
title
Barusiban
(English)
retrieved
18 November 2016
physically interacts with
oxytocin receptor
subject has role
antagonist
1 reference
stated in
Open Targets Platform
retrieved
14 August 2023
reference URL
https://platform.opentargets.org/drug/CHEMBL2218898
Commons category
Barusiban
0 references
Identifiers
InChI
InChI=1S/C40H63N9O8S/c1-6-23(3)34-38(55)46-31(20-32(42)51)36(53)45-29(40(57)49(5)26(22-50)11-10-16-41)14-17-58-18-15-33(52)44-30(19-25-21-43-28-13-9-8-12-27(25)28)37(54)47-35(24(4)7-2)39(56)48-34/h8-9,12-13,21,23-24,26,29-31,34-35,43,50H,6-7,10-11,14-20,22,41H2,1-5H3,(H2,42,51)(H,44,52)(H,45,53)(H,46,55)(H,47,54)(H,48,56)/t23-,24+,26+,29+,30-,31+,34+,35+/m1/s1
1 reference
stated in
PubChem
PubChem CID
9832431
language of work or name
English
title
Barusiban
(English)
retrieved
18 November 2016
InChIKey
UGNGRKKDUVKQDF-IHOMMZCZSA-N
1 reference
stated in
PubChem
PubChem CID
9832431
language of work or name
English
title
Barusiban
(English)
retrieved
18 November 2016
CAS Registry Number
285571-64-4
1 reference
stated in
Global Substance Registration System
UNII
UX33I93GLS
language of work or name
English
title
barusiban
(English)
retrieved
18 November 2016
ChemSpider ID
8008159
1 reference
stated in
ChemSpider
ChemSpider ID
8008159
language of work or name
English
title
Barusiban
(English)
retrieved
18 November 2016
PubChem CID
9832431
2 references
stated in
PubChem
PubChem CID
9832431
language of work or name
English
title
Barusiban
(English)
retrieved
18 November 2016
matched by identifier from
InChIKey
InChIKey
UGNGRKKDUVKQDF-IHOMMZCZSA-N
ChEMBL ID
CHEMBL2218898
1 reference
stated in
ChEMBL
ChEMBL ID
CHEMBL2218898
language of work or name
English
title
BARUSIBAN
(English)
retrieved
18 November 2016
UniChem compound ID
27309126
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20182771
0 references
DSSTOX compound identifier
DTXCID60105262
0 references
Guide to Pharmacology Ligand ID
10890
1 reference
stated in
IUPHAR/BPS Guide to PHARMACOLOGY
retrieved
5 February 2021
DrugBank ID
DB12292
1 reference
matched by identifier from
InChIKey
InChIKey
UGNGRKKDUVKQDF-IHOMMZCZSA-N
UNII
UX33I93GLS
2 references
stated in
Global Substance Registration System
UNII
UX33I93GLS
language of work or name
English
title
barusiban
(English)
retrieved
18 November 2016
matched by identifier from
InChIKey
InChIKey
UGNGRKKDUVKQDF-IHOMMZCZSA-N
Probes And Drugs ID
PD058155
0 references
Freebase ID
/m/012l1y63
0 references
Microsoft Academic ID
2778974668
0 references
Sitelinks
Wikipedia
(2 entries)
edit
enwiki
Barusiban
viwiki
Barusiban
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
(1 entry)
edit
commonswiki
Category:Barusiban
Retrieved from "
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