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norethisterone acetate

PropertiesImage
MNX_IDMNXM64931 Image of MNXM64931
referencechebi:7628
formulaC22H28O3
global charge0
mol weight340.463
InChIKeyIMONTRJLAWHYGT-ZCPXKWAGSA-N
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
SMILESC#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM64931
SMILES (mnx)[CH:1]#[C:4][C@:22]1([O:25][C:14]([CH3:2])=[O:23])[CH2:12][CH2:10][C@H:20]2[C@@H:19]3[CH2:7][CH2:5][C:15]4=[CH:13][C:16](=[O:24])[CH2:6][CH2:8][C@@H:17]4[C@H:18]3[CH2:9][CH2:11][C@@:21]21[CH3:3]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:7628
chebi:7628
IMONTRJLAWHYGT-ZCPXKWAGSA-N 		norethisterone acetate
(17-alpha)-norethindrone acetate
(17alpha)-3-oxo-19-norpregn-4-en-20-yn-17-yl acetate
17-acetoxy-19-nor-17-alpha-pregn-4-en-20-yn-3-one
17-acetoxy-19-nor-17alpha-pregn-4-en-20-yn-3-one
17-acetyloxy(17-alpha)-19-norpregn-4-estren-17-beta-ol-acetate-3-one
17-alpha-ethinyl-19-nortestosterone acetate
17-alpha-ethinyl-19-nortestosterone-17-beta-acetate
17-alpha-ethynyl-17-hydroxyestr-4-en-3-one acetate
17-alpha-ethynyl-19-nortestosterone acetate
17-hydroxy-19-nor-17-alpha-pregn-4-en-20-yn-3-one acetate
17-hydroxy-19-nor-17alpha-pregn-4-en-20-yn-3-one acetate
17alpha-ethinyl-19-nortestosterone 17beta-acetate
17alpha-ethinyl-19-nortestosterone-17beta-acetate
17alpha-ethynyl-17-hydroxyestr-4-en-3-one acetate
17alpha-ethynyl-17beta-acetoxy-19-norandrost-4-en-3-one
17alpha-ethynyl-19-nortestosterone acetate
17beta-acetoxy-19-nor-17alpha-pregn-4-en-20-yn-3-one
17beta-hydroxy-19-nor-17alpha-pregn-4-en-20-yn-3-one acetate
19-norethindrone acetate
19-norethisterone acetate
19-norethynyltestosterone acetate
Aygestin
Norethindrone acetate
Norlutate
norethindrone 17-acetate
norethindrone acetate

kegg.drug:D00953
keggD:D00953
IMONTRJLAWHYGT-ZCPXKWAGSA-N 		Norethindrone acetate (USP)
Aygestin (TN)
Norethisterone acetate (JAN)
hmdb:HMDB0255731
IMONTRJLAWHYGT-UHFFFAOYSA-N 		Norethindrone acetate
14-Ethynyl-15-methyl-5-oxotetracyclo[8.7.0.0,.0,]heptadec-6-en-14-yl acetic acid
14-ethynyl-15-methyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-yl acetate
Aygestin
Norethindrone acetate, (17alpha)-(+-)-isomer
Norethindrone acetate, (17alpha)-isomer
Norethindrone acetic acid
Norethisterone acetate
Norlutate

seed.compound:cpd05112
seedM:cpd05112
kegg.compound:C08152
keggC:C08152
IMONTRJLAWHYGT-ZCPXKWAGSA-N 		Norethindrone acetate
Norethisterone acetate

CHEBI:181680
chebi:181680
IMONTRJLAWHYGT-FJMAIUEKSA-N 		[(10R,13S,17R)-17-Ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
[(10R,13S,17R)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate

keggC:M_C08152
keggD:M_D00953
seedM:M_cpd05112 		secondary/obsolete/fantasy identifier