ingenol mebutate (Q426386)

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chemical compound
  • PEP-005
  • Picato®
  • Ingenol Mebutate
  • Ingenol 3-angelate
  • 3-Ingenyl Angelate
  • PEP005
edit
Language Label Description Also known as
English
ingenol mebutate
chemical compound
  • PEP-005
  • Picato®
  • Ingenol Mebutate
  • Ingenol 3-angelate
  • 3-Ingenyl Angelate
  • PEP005

Statements

subclass of
wax monoester
0 references
ingenane diterpenoid
0 references
ingenol
0 references
has use
medication
0 references
mass
430.236 dalton
1 reference
stated in
PubChem
PubChem CID
6918670
language of work or name
English
title
Ingenol mebutate (English)
retrieved
18 November 2016
chemical formula
C₂₅H₃₄O₆
1 reference
stated in
PubChem
PubChem CID
6918670
language of work or name
English
title
Ingenol mebutate (English)
retrieved
18 November 2016
canonical SMILES
CC=C(C)C(=O)OC1C(=CC23C1(C(C(=CC(C2=O)C4C(C4(C)C)CC3C)CO)O)O)C
1 reference
stated in
PubChem
PubChem CID
6918670
language of work or name
English
title
Ingenol mebutate (English)
retrieved
18 November 2016
isomeric SMILES
C/C=C(/C)\C(=O)O[C@H]1C(=C[C@@]23[C@@]1([C@@H](C(=C[C@H](C2=O)[C@H]4[C@H](C4(C)C)C[C@H]3C)CO)O)O)C
1 reference
stated in
PubChem
PubChem CID
6918670
language of work or name
English
title
Ingenol mebutate (English)
retrieved
18 November 2016

Identifiers

ChemSpider ID
21171549
1 reference
stated in
ChemSpider
ChemSpider ID
21171549
language of work or name
English
title
(1S,4S,5S,6R,9S,10R,12R,14R)-5,6-Dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxotetracyclo[7.5.1.0~1,5~.0~10,12~]pentadeca-2,7-dien-4-yl (2Z)-2-methyl-2-butenoate (English)
retrieved
18 November 2016
HSDB ID
8308
1 reference
stated in
Hazardous Substances Data Bank
HSDB ID
8308
publication date
28 October 2019
title
Ingenol mebutate (English)
retrieved
10 May 2021
EC number
688-125-2
1 reference
stated in
ECHA Substance Infocard database
ECHA Substance Infocard ID
100.214.695
retrieved
27 December 2018
title
2-Butenoic acid, 2-methyl-, (1aR,2S,5R,5aS,6S,8aS,9R,10aR)-1a,2,5,5a,6,9,10,10a-octahydro-5,5a-dihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-11-oxo-1H-2,8a-methanocyclopenta[a]cyclopropa[e]cyclodecen-6-yl ester, (2Z)- (English)
quotation
CAS no.: 75567-37-2 (English)
ECHA Substance Infocard ID
100.214.695
1 reference
stated in
ECHA Substance Infocard database
ECHA Substance Infocard ID
100.214.695
retrieved
27 December 2018
title
2-Butenoic acid, 2-methyl-, (1aR,2S,5R,5aS,6S,8aS,9R,10aR)-1a,2,5,5a,6,9,10,10a-octahydro-5,5a-dihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-11-oxo-1H-2,8a-methanocyclopenta[a]cyclopropa[e]cyclodecen-6-yl ester, (2Z)- (English)
quotation
CAS no.: 75567-37-2 (English)
ATC code
D06BX02
1 reference
stated in
DrugBank
DrugBank ID
05013
language of work or name
English
title
Ingenol Mebutate (English)
publication date
17 November 2015
Probes And Drugs ID
PD009340
0 references
PD098429
0 references
KEGG ID
D09393
1 reference
stated in
ChEMBL
ChEMBL ID
CHEMBL1863513
language of work or name
English
title
Ingenol Mebutate (English)
retrieved
19 January 2016
Freebase ID
/m/0j62v3k
0 references
 
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