misoprostol (Q416025)

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chemical compound
  • BRN 4155643
  • CCRIS 6859
  • HSDB 3573
  • SC 29333
  • (11alpha,13E)-( )-11alpha,16-dihydroxy-16-methyl-9-oxoprost-13E-en-1-oic acid methyl ester
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Language Label Description Also known as
English
misoprostol
chemical compound
  • BRN 4155643
  • CCRIS 6859
  • HSDB 3573
  • SC 29333
  • (11alpha,13E)-( )-11alpha,16-dihydroxy-16-methyl-9-oxoprost-13E-en-1-oic acid methyl ester

Statements

chemical structure
Misoprostol.svg
238 × 130; 14 KB
0 references
mass
382.272 dalton
1 reference
stated in
PubChem
PubChem CID
5282381
language of work or name
English
title
misoprostol (English)
retrieved
18 November 2016
chemical formula
C₂₂H₃₈O₅
1 reference
stated in
PubChem
PubChem CID
5282381
language of work or name
English
title
misoprostol (English)
retrieved
18 November 2016
canonical SMILES
CCCCC(C)(CC=CC1C(CC(=O)C1CCCCCCC(=O)OC)O)O
1 reference
stated in
PubChem
PubChem CID
5282381
language of work or name
English
title
misoprostol (English)
retrieved
18 November 2016
isomeric SMILES
CCCCC(C)(C/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)OC)O)O
1 reference
stated in
PubChem
PubChem CID
5282381
language of work or name
English
title
misoprostol (English)
retrieved
18 November 2016
legal status (medicine)
boxed warning
1 reference
reference URL
https://nctr-crs.fda.gov/fdalabel/ui/spl-summaries/criteria/343802
title
FDA-sourced list of all drugs with black box warnings (Use Download Full Results and View Query links. (English)
Commons category
Misoprostol
0 references

Identifiers

ChemSpider ID
4445541
1 reference
stated in
ChemSpider
ChemSpider ID
4445541
language of work or name
English
title
Misoprostol (English)
retrieved
18 November 2016
24997205
1 reference
stated in
ChemSpider
ChemSpider ID
24997205
language of work or name
English
title
Methyl (11alpha,13E)-11,16-dihydroxy-16-methyl-9-oxoprost-13-en-1-oate (English)
retrieved
18 November 2016
ChEBI ID
63610
0 references
HSDB ID
3573
1 reference
stated in
Hazardous Substances Data Bank
HSDB ID
3573
publication date
28 October 2019
title
MISOPROSTOL (English)
retrieved
10 May 2021
EC number
664-288-5
1 reference
stated in
ECHA Substance Infocard database
ECHA Substance Infocard ID
100.190.521
retrieved
27 December 2018
title
methyl 7-[(1R,2R,3R)-3-hydroxy-2-[(1E)-4-hydroxy-4-methyloct-1-en-1-yl]-5-oxocyclopentyl]heptanoate (English)
quotation
CAS no.: 59122-46-2 (English)
ECHA Substance Infocard ID
100.190.521
1 reference
stated in
ECHA Substance Infocard database
ECHA Substance Infocard ID
100.190.521
retrieved
27 December 2018
title
methyl 7-[(1R,2R,3R)-3-hydroxy-2-[(1E)-4-hydroxy-4-methyloct-1-en-1-yl]-5-oxocyclopentyl]heptanoate (English)
quotation
CAS no.: 59122-46-2 (English)
MeSH descriptor ID
D016595
subject named as
Misoprostol
0 references
KEGG ID
D00419
1 reference
stated in
ChEMBL
ChEMBL ID
CHEMBL606
language of work or name
English
title
Misoprostol (English)
retrieved
19 January 2016
CAB ID
216215
1 reference
stated in
CAB Thesaurus
retrieved
6 April 2020
DeCS ID
29962
0 references
NE.se ID
misoprostol
0 references
 
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