Norethisterone enanthate
Basic information
- CAS
3836-23-5- Standard SMILES
C#C[C@]1(OC(=O)CCCCCC)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C- InChIKey
APTGJECXMIKIET-WOSSHHRXSA-N- Molecular formula
- C27H38O3
- Average molar mass
- 410.6 g/mol
- Monoisotopic mass
- 410.28209507
Overview
Norethindrone enanthate is a steroid ester.
Names & identifiers
- Preferred name
- Norethisterone enanthate
- IUPAC
- [(8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] heptanoate
- English name
- 17alpha-Ethynyl-19-nortestosterone 17-heptanoate
- Molecular formula
- C27H38O3
- Molecular weight
- 410.59
Names & synonyms
Norethisterone enanthate3836-23-5NORETHINDRONE ENANTHATENorethisterone enantateNorigestNorethisterone oenanthateHY3S2K0J0FNSC-22846ZK-541017alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-oneSH-8.039319-Norpregn-4-en-20-yn-3-one, 17-((1-oxoheptyl)oxy)-, (17alpha)-
Show more names
LG202LG 202LG-202SH-8039317alpha-Ethynyl-19-n
19-norethindrone enanthateRefChem:166601(17 alpha)-17-((1-oxoheptyl)oxy)-19-norpregn-4-en-20-yn-3-one(1R,3aS,3bR,9aR,9bS,11aS)-1-ethynyl-11a-methyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta(a)phenanthren-1-yl heptanoate223-326-7NoristeratNorlutin enanthateDTXSID2048664
Database identifiers
- CAS
3836-23-5- PubChem CID
- 229295
- DTXSID
DTXSID2048664
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 770
Experimental & physicochemical properties
SpringerMaterials PropertiesFusion temperature
Human DrugsInjectable hormonal contraceptives
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 69.5 °C · 69.5°C
- Boiling point
- 470.54 °C · 470.54°C (rough estimate)
- Density
- 1.0736 · 1.0736 (rough estimate)
- refractive index
- 1.47 · 1.4700 (estimate)
- storage temp.
- Refrigerator, Under inert atmosphere
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- color
- Crystals from pet ether
- Stability
- Chloroform (Slightly), Dmso (Slightly), Methanol (Slightly)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (40.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P260, P261, P263, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (40.5%)
Safety data
- Toxicity
- TDLo vn-wmn: 4 mg/kg:EYE ADVPB4 8,103,72
- Signal word
- Danger
- Symbol(GHS)
- GHS08
- Hazard statements
- H351-H413-H360-H362
- Precautionary statements
- P201-P260-P263-P264-P270-P308+P313-P201-P202-P281-P308+P313-P405-P501
Chemistry & industry
Pharmacology
ATC CodeG03AC01
MeSH Pharmacological Classification
Chemical substances or agents with contraceptive activity in females. Use for female contraceptive agents in general or for which there is no specific heading.
Oral contraceptives which owe their effectiveness to synthetic preparations.
Contraceptive agents that act on the ENDOCRINE SYSTEM.
Applications
UsesNorethisterone enanthate is a useful compound to study chem.-chem. interaction for predicting biological functions. It also has antigonadotropic effects and can be used as a hormonal contraceptive.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Norethindrone enanthate is a steroid ester.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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