Norprostol

HCID 3912664

Notes Reactions

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Basic information

CAS: 40098-26-8
Standard SMILES: COC(=O)CCCCCCC1=CC(O)CC1=O
InChIKey: PQKUWAVOSCVDCT-UHFFFAOYSA-N
Molecular formula: C13H20O4
Average molar mass: 240.29 g/mol
Monoisotopic mass: 240.13615912

Names & identifiers

Preferred name: Norprostol
IUPAC: methyl 7-(3-hydroxy-5-oxocyclopenten-1-yl)heptanoate
English name: METHYL 7-[(3RS)-3-HYDROXY-5-OXOCYCLOPENT-1-ENYL]HEPTANOATE
Molecular formula: C13H20O4
Molecular weight: 240.3

Names & synonyms

40098-26-8Methyl 7-(3-hydroxy-5-oxocyclopent-1-en-1-yl)heptanoateNorprostol1-Cyclopentene-1-heptanoic acid, 3-hydroxy-5-oxo-, methyl ester8I3O2MY5FNMisoprostol impurity F [EP]Misoprostol impurity FDTXSID90960548methyl 7-(3-hydroxy-5-oxo-1-cyclopenten-1-yl)heptanoateMISOPROSTOL IMPURITY F [EP IMPURITY]Misoprostol impurity, norprostol-(USP)Misoprostol impurity, norprostol-[USP]

Show more names

Misoprostol Impurity 10Methyl-3-hydroxy-5-oxo-1-cyclopentene-1-heptanoateMisoprostol Impurity 6 (Misoprostol EP Impurity F)methyl 8-(3-hydroxy-5-oxocyclopent-1-enyl)octanoate.Methyl 7-(3-hydroxy-5-oxocyclopenten-1-yl)heptanoate.Methyl7-(3-hydroxy-5-oxo-1-cyclopenten-1-yl)heptanoateMETHYL 7-[(3RS)-3-HYDROXY-5-OXOCYCLOPENT-1-ENYL]HEPTANOATE1-Cyclopentence-1-heptanoic acid,3-hydroxy-5oxo-,methy ester

MISOPROSTOL IMPURITY F (EP IMPURITY)MISOPROSTOL IMPURITY, NORPROSTOL-(USP IMPURITY)MISOPROSTOL IMPURITY, NORPROSTOL-[USP IMPURITY]RefChem:854746DTXCID00220165METHYL (+-)-3XI-HYDROXY-5-OXO-1-CYCLOPENTENE-1-HEPTANOATEMETHYL (+-)-3.XI.-HYDROXY-5-OXO-1-CYCLOPENTENE-1-HEPTANOATE690-940-3

Database identifiers

CAS: 40098-26-8
PubChem CID: 3912664
DTXSID: DTXSID90960548
UNII: 8I3O2MY5FN
EC Number: 690-940-3
Nikkaji: J316.791G

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 63.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 17
Formal charge: 0
Complexity: 307

Physicochemical properties

Boiling point: 378.4 · 378.4±42.0 °C(Predicted)
Density: 1.125 · 1.125
storage temp.: 2 · 2-8°C
pka: 12.95 · 12.95±0.40(Predicted)
InChI: InChI=1S/C13H20O4/c1-17-13(16)7-5-3-2-4-6-10-8-11(14)9-12(10)15/h8,11,14H,2-7,9H2,1H3
InChIKey: PQKUWAVOSCVDCT-UHFFFAOYSA-N
SMILES: C1(CCCCCCC(OC)=O)C(=O)CC(O)C=1
FDA UNII: 8 I3O2MY5FN · 8I3O2MY5FN
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H315-H335
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 91.7% (11 of 12) of all reports.

Not Classified

Aggregated GHS information provided per 12 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesNot Classified

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H315-H335
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Chemistry & industry

Applications

UsesMethyl 7-[(3RS)-3-Hydroxy-5-oxocyclopent-1-enyl]heptanoate is a reagent used in the synthesis of naturally occuring prostaglandins and congeners.