General Information of the Compound
| Compound ID |
CP0076397
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| Compound Name |
CHEBI:31580
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| Synonyms |
(3 beta, 17 alpha)-19-Norpregn-4-en-20-yne-3,17 diolDiacetate
(3-beta,17-alpha)-19-Norpregn-4-en-20-yne-3,17-diol diacetate
(3beta,17beta)-17-ethynylestr-4-ene-3,17-diyl diacetate
17-alpha-Ethynyl-19-norandrost-4-ene-3-beta,17-beta-diol diacetate
17-alpha-Ethynyl-3,17-dihydroxy-4-estrene diacetate
17-alpha-Ethynyl-4-estrene-3-beta,17-beta-diol diacetate
17-alpha-Ethynylestr-4-ene-3-beta,17-beta-diol acetate
17alpha-Ethynyl-19-norandrost-4-ene-3beta,17-beta-diol diacetate
17alpha-Ethynyl-3,17-dihydroxy-4-estrene diacetate
17alpha-Ethynyl-4-estrene-3beta,17beta-diol diacetate
17alpha-Ethynylestr-4-ene-3beta,17beta-diol acetate
17alpha-ethynylestr-4-ene-3beta,17beta-diyl diacetate
19-Nor-17-alpha-pregn-4-en-20-yne-3-beta,17-diol diacetate
19-Nor-17-alpha-pregn-4-en-20-yne-3-beta,17-diol, diacetate
19-Nor-17alpha-pregn-4-en-20-yne-3beta,17-diol diacetate
3-beta, 17-beta-Diacetoxy-17-alpha-ethynyl-4-oestrene
3-beta,17-beta-Diacetoxy-19-nor-17-alpha-pregn-4-en-20-yne
3beta, 17beta-Diacetoxy-17alpha-ethynyl-4-oestrene
3beta,17beta-Diacetoxy-17alpha-ethynyl-4-estrene
3beta,17beta-Diacetoxy-19-nor-17alpha-pregn-4-en-20-yne
Cervicundin
Continuin
Ethinodiol diacetate
Ethyndiol Diacetate
Ethynodiol Diacetate
Ethynodiol diacetate (JAN/USP);[(3S,8R,9S,10R,13S,14S,17R)-17-acetyloxy-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Ethynodiol diacetate [Progestins]
Ethynodiol diacetate [USAN]
Etynodiol Acetate
Etynodiol di(acetate)
Femulen
Luteonorm
Luto-metrodiol
Metrodiol
Metrodiol diacetate
Ovulen 50
SC 11800
SC-11800
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| Structure |
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| Formula |
C24H32O4
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| Molecular Weight |
384.516
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| Canonical SMILES |
CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(OC(C)=O)C#C)[C@@H]3CCC2=C1
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| InChI |
InChI=1S/C24H32O4/c1-5-24(28-16(3)26)13-11-22-21-8-6-17-14-18(27-15(2)25)7-9-19(17)20(21)10-12-23(22,24)4/h1,14,18-22H,6-13H2,2-4H3/t18-,19-,20+,21+,22-,23-,24-/m0/s1
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| InChIKey |
ONKUMRGIYFNPJW-KIEAKMPYSA-N
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| CAS |
297-76-7
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Clinical Information about the Compound