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N-[(4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-yl)methyl]carbamic acid (phenylmethyl) ester
(Q27163448)
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From Wikidata
chemical compound
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Language
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Description
Also known as
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No label defined
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English
N-[(4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-yl)methyl]carbamic acid (phenylmethyl) ester
chemical compound
Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
403.226
dalton
1 reference
stated in
PubChem
PubChem CID
4090
language of work or name
English
title
Metergoline phenylmethyl ester
(English)
retrieved
9 October 2016
chemical formula
C₂₅H₂₉N₃O₂
1 reference
stated in
PubChem
PubChem CID
4090
language of work or name
English
title
Metergoline phenylmethyl ester
(English)
retrieved
9 October 2016
canonical SMILES
CN1CC(CC2C1CC3=CN(C4=CC=CC2=C34)C)CNC(=O)OCC5=CC=CC=C5
1 reference
stated in
PubChem
PubChem CID
4090
language of work or name
English
title
Metergoline phenylmethyl ester
(English)
retrieved
9 October 2016
Identifiers
InChI
InChI=1S/C25H29N3O2/c1-27-14-18(13-26-25(29)30-16-17-7-4-3-5-8-17)11-21-20-9-6-10-22-24(20)19(12-23(21)27)15-28(22)2/h3-10,15,18,21,23H,11-14,16H2,1-2H3,(H,26,29)
1 reference
stated in
PubChem
PubChem CID
4090
language of work or name
English
title
Metergoline phenylmethyl ester
(English)
retrieved
9 October 2016
InChIKey
WZHJKEUHNJHDLS-UHFFFAOYSA-N
2 references
stated in
PubChem
PubChem CID
4090
language of work or name
English
title
Metergoline phenylmethyl ester
(English)
retrieved
9 October 2016
stated in
ChEBI release 2020-09-01
ChemSpider ID
3948
1 reference
stated in
ChemSpider
ChemSpider ID
3948
language of work or name
English
title
Benzyl [(1,6-dimethylergolin-8-yl)methyl]carbamate
(English)
retrieved
9 October 2016
PubChem CID
4090
2 references
stated in
PubChem
PubChem CID
4090
language of work or name
English
title
Metergoline phenylmethyl ester
(English)
retrieved
9 October 2016
matched by identifier from
InChIKey
InChIKey
WZHJKEUHNJHDLS-UHFFFAOYSA-N
ChEBI ID
91619
mapping relation type
exact match
2 references
stated in
ChEBI
ChEBI ID
91619
language of work or name
English
title
N-[(4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-yl)methyl]carbamic acid (phenylmethyl) ester
(English)
retrieved
9 October 2016
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C25H29N3O2/c1-27-14-18(13-26-25(29)30-16-17-7-4-3-5-8-17)11-21-20-9-6-10-22-24(20)19(12-23(21)27)15-28(22)2/h3-10,15,18,21,23H,11-14,16H2,1-2H3,(H,26,29)
UniChem compound ID
1078508
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Washington_State_Univ-BML81680
0 references
MSBNK-Washington_State_Univ-BML81682
0 references
SPLASH
splash10-0udi-0000900000-9a80deb5ad51ea1e12ee
0 references
DSSTox substance ID
DTXSID50860212
1 reference
matched by identifier from
InChIKey
InChIKey
WZHJKEUHNJHDLS-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0254511
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WZHJKEUHNJHDLS-UHFFFAOYSA-N
Probes And Drugs ID
PD068033
0 references
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N-[(4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-yl)methyl]carbamic acid (phenylmethyl) ester
(Q27163448)
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