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bromocriptine mesylate
(Q27105974)
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From Wikidata
chemical compound
(5'alpha)-2-bromo-12'-hydroxy-5'-isobutyl-2'-isopropyl-3',6',18-trioxoergotaman methanesulfonate
2-bromo-alpha-ergocryptine mesylate
bromocriptine mesilate
edit
Language
Label
Description
Also known as
default for all languages
No label defined
–
English
bromocriptine mesylate
chemical compound
(5'alpha)-2-bromo-12'-hydroxy-5'-isobutyl-2'-isopropyl-3',6',18-trioxoergotaman methanesulfonate
2-bromo-alpha-ergocryptine mesylate
bromocriptine mesilate
Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
749.209
dalton
1 reference
stated in
PubChem
PubChem CID
31100
language of work or name
English
title
BROMOCRIPTINE MESYLATE
(English)
retrieved
17 November 2016
chemical formula
C₃₃H₄₄BrN₅O₈S
1 reference
stated in
PubChem
PubChem CID
31100
language of work or name
English
title
BROMOCRIPTINE MESYLATE
(English)
retrieved
17 November 2016
canonical SMILES
CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)O.CS(=O)(=O)O
1 reference
stated in
PubChem
PubChem CID
31100
language of work or name
English
title
BROMOCRIPTINE MESYLATE
(English)
retrieved
17 November 2016
isomeric SMILES
CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)O.CS(=O)(=O)O
1 reference
stated in
PubChem
PubChem CID
31100
language of work or name
English
title
BROMOCRIPTINE MESYLATE
(English)
retrieved
17 November 2016
physically interacts with
Dopamine receptor D4
subject has role
agonist
1 reference
stated in
Open Targets Platform
retrieved
14 August 2023
reference URL
https://platform.opentargets.org/drug/CHEMBL1200503
Dopamine receptor D3
subject has role
agonist
1 reference
stated in
Open Targets Platform
retrieved
14 August 2023
reference URL
https://platform.opentargets.org/drug/CHEMBL1200503
Identifiers
InChI
InChI=1S/C32H40BrN5O5.CH4O3S/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18;1-5(2,3)4/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39);1H3,(H,2,3,4)/t18-,23-,24+,25+,31-,32+;/m1./s1
1 reference
stated in
PubChem
PubChem CID
31100
language of work or name
English
title
BROMOCRIPTINE MESYLATE
(English)
retrieved
17 November 2016
InChIKey
NOJMTMIRQRDZMT-GSPXQYRGSA-N
2 references
stated in
PubChem
PubChem CID
31100
language of work or name
English
title
BROMOCRIPTINE MESYLATE
(English)
retrieved
17 November 2016
stated in
ChEBI release 2020-09-01
CAS Registry Number
22260-51-1
2 references
stated in
Global Substance Registration System
UNII
FFP983J3OD
language of work or name
English
title
bromocriptine mesylate
(English)
retrieved
17 November 2016
InChIKey
NOJMTMIRQRDZMT-GSPXQYRGSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=22260-51-1
ChemSpider ID
28857
1 reference
stated in
ChemSpider
ChemSpider ID
28857
language of work or name
English
title
CB-154 mesylate
(English)
retrieved
17 November 2016
PubChem CID
31100
2 references
stated in
PubChem
PubChem CID
31100
language of work or name
English
title
BROMOCRIPTINE MESYLATE
(English)
retrieved
17 November 2016
matched by identifier from
InChIKey
InChIKey
NOJMTMIRQRDZMT-GSPXQYRGSA-N
44656349
1 reference
matched by identifier from
InChIKey
InChIKey
NOJMTMIRQRDZMT-GSPXQYRGSA-N
Reaxys registry number
6048116
1 reference
stated in
ChEBI
ChEBI ID
3182
language of work or name
English
title
bromocriptine methanesulfonate
(English)
retrieved
5 October 2016
ChEBI ID
3182
mapping relation type
exact match
2 references
stated in
ChEMBL
ChEMBL ID
CHEMBL1200503
language of work or name
English
title
BROMOCRIPTINE MESYLATE
(English)
retrieved
17 November 2016
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C32H40BrN5O5.CH4O3S/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18;1-5(2,3)4/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39);1H3,(H,2,3,4)/t18-,23-,24+,25+,31-,32+;/m1./s1
ChEMBL ID
CHEMBL1200503
1 reference
stated in
ChEMBL
ChEMBL ID
CHEMBL1200503
language of work or name
English
title
BROMOCRIPTINE MESYLATE
(English)
retrieved
17 November 2016
SureChEMBL ID
SCHEMBL40559
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NOJMTMIRQRDZMT-GSPXQYRGSA-N
DSSTox substance ID
DTXSID6020197
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
NOJMTMIRQRDZMT-GSPXQYRGSA-N
DSSTOX compound identifier
DTXCID00197
0 references
NSC number
755915
0 references
EC number
244-881-1
1 reference
stated in
Global Substance Registration System
UNII
FFP983J3OD
language of work or name
English
title
bromocriptine mesylate
(English)
retrieved
17 November 2016
ECHA Substance Infocard ID
100.040.786
1 reference
stated in
ECHA Substance Infocard database
ECHA Substance Infocard ID
100.040.786
retrieved
27 December 2018
title
2-bromo-12'-hydroxy-5'α-isobutyl-2'-isopropylergotaman-3',6',18-trione monomethanesulphonate
(English)
quotation
CAS no.: 22260-51-1
(English)
RxNorm ID
142426
1 reference
stated in
Global Substance Registration System
UNII
FFP983J3OD
language of work or name
English
title
bromocriptine mesylate
(English)
retrieved
17 November 2016
UNII
FFP983J3OD
2 references
stated in
Global Substance Registration System
UNII
FFP983J3OD
language of work or name
English
title
bromocriptine mesylate
(English)
retrieved
17 November 2016
matched by identifier from
InChIKey
InChIKey
NOJMTMIRQRDZMT-GSPXQYRGSA-N
NDF-RT ID
N0000147055
1 reference
stated in
Global Substance Registration System
UNII
FFP983J3OD
language of work or name
English
title
bromocriptine mesylate
(English)
retrieved
17 November 2016
Probes And Drugs ID
PD002797
0 references
KEGG ID
D00780
1 reference
stated in
ChEBI
ChEBI ID
3182
language of work or name
English
title
bromocriptine methanesulfonate
(English)
retrieved
5 October 2016
UMLS CUI
C0546852
1 reference
stated in
Global Substance Registration System
UNII
FFP983J3OD
language of work or name
English
title
bromocriptine mesylate
(English)
retrieved
17 November 2016
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(0 entries)
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(0 entries)
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(0 entries)
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(0 entries)
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(0 entries)
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