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CHEBI:7628 - norethisterone acetate

Default Structure
ChEBI IDCHEBI:7628
ChEBI Namenorethisterone acetate
Stars
DefinitionA 3-oxo Δ4-steroid that is norethisterone in which the hydroxy group has been converted to its acetate ester.
Last Modified22 February 2017
DownloadsMolfile
FormulaC22H28O3
Net Charge0
Average Mass340.463
Monoisotopic Mass340.20384
SMILES[H][C@@]12CCC3=CC(=O)CC[C@]3([H])[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1(C#C)OC(C)=O
InChIInChI=1S/C22H28O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,13,17-20H,5-12H2,2-3H3/t17-,18+,19+,20-,21-,22-/m0/s1
InChIKeyIMONTRJLAWHYGT-ZCPXKWAGSA-N
Wikipedia
Roles Classification
Biological Roles:
progestin  A synthetic progestogen.
analgesic  An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms.
Applications:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
synthetic oral contraceptive  An oral contraceptive which owes its effectiveness to synthetic preparation.
analgesic  An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms.
ChEBI Ontology
Outgoing Relation(s)
norethisterone acetate (CHEBI:7628) has functional parent norethisterone (CHEBI:7627)
norethisterone acetate (CHEBI:7628) has role analgesic (CHEBI:35480)
norethisterone acetate (CHEBI:7628) has role antineoplastic agent (CHEBI:35610)
norethisterone acetate (CHEBI:7628) has role progestin (CHEBI:59826)
norethisterone acetate (CHEBI:7628) has role synthetic oral contraceptive (CHEBI:49326)
norethisterone acetate (CHEBI:7628) is a 3-oxo-Δ4 steroid (CHEBI:47909)
norethisterone acetate (CHEBI:7628) is a acetate ester (CHEBI:47622)
norethisterone acetate (CHEBI:7628) is a terminal acetylenic compound (CHEBI:73477)
IUPAC Name 
(17α)-3-oxo-19-norpregn-4-en-20-yn-17-yl acetate
Synonyms  Source
17-acetoxy-19-nor-17-α-pregn-4-en-20-yn-3-oneChemIDplus
17-acetoxy-19-nor-17α-pregn-4-en-20-yn-3-oneChemIDplus
17-acetyloxy(17-α)-19-norpregn-4-estren-17-β-ol-acetate-3-oneChemIDplus
17-hydroxy-19-nor-17-α-pregn-4-en-20-yn-3-one acetateChemIDplus
17-hydroxy-19-nor-17α-pregn-4-en-20-yn-3-one acetateChemIDplus
17-α-ethinyl-19-nortestosterone-17-β-acetateChemIDplus
Brand Names  Source
AygestinKEGG DRUG
Norethidrone acetateChEMBL
Norethindrone acetate component of activellaChEMBL
Norethindrone acetate component of combipatchChEMBL
Norethindrone acetate component of estrostep feChEMBL
Norethindrone acetate component of femhrtChEMBL
Manual XrefsDatabases
1963DrugCentral
C08152KEGG COMPOUND
D00953KEGG DRUG
Norethisterone_acetateWikipedia
US2964537Patent
Registry NumbersSources
Reaxys:2064104Reaxys
CAS:51-98-9KEGG COMPOUND
CAS:51-98-9NIST Chemistry WebBook
CAS:51-98-9ChemIDplus
Citations