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AG005YK2
68-23-5 | Norethynodrel
AG005YK2
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| CAS Number | 68-23-5 |
| Catalog Number | AG005YK2(AGN-PC-0TRRBA) |
| Chemical Name | Norethynodrel |
| EC Number | 200-682-1 |
| IUPAC Name | (8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one |
| InChI | InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,16-18,22H,4-12H2,2H3/t16-,17-,18+,19+,20+/m1/s1 |
| InChI Key | ICTXHFFSOAJUMG-SLHNCBLASA-N |
| MDL Number | MFCD00199015 |
| Molecular Formula | C20H26O2 |
| Molecular Weight | 298.4192 |
| SMILES | C[C@@]12[C@](CC[C@@]2(O)C#C)([H])[C@@]3([H])[C@](C4=C(CC(CC4)=O)CC3)([H])CC1 |
| UNII | 88181ACA0M |
| Synonyms | Norethynodrel,
Norethynodrel, (8 alpha)-(+-)-Isomer,
norethynodrel,
Noretynodrel,
Norethinodrel,
68-23-5,
Lynestrol,
19-Norethynodrel,
Enidrel,
SC-4642,
Noretinodrel [DCIT],
17-Ethinyl-5(10)-estraeneolone,
19-Nor-ethinyl-5,10-testosterone,
Noretynodrelum [INN-Latin],
NSC-15432,
CCRIS 486,
UNII-88181ACA0M,
MLS000069824,
HSDB 2951,
17alpha-Ethinyl-5,10-estrenolone,
17-alpha-Ethinyl-5,10-estrenolone,
EINECS 200-682-1,
NSC 15432,
Norethynodrel [Progestins],
CB 8023,
BRN 2389771,
Norethinynodrel,
Norethynodral,
CHEBI:34895,
17alpha-Ethynyl-5(10)-estren-17-ol-3-one,
19-Norpregn-5(10)-en-20-yn-3-one, 17-hydroxy-, (17alpha)-,
17-alpha-Ethynyl-5(10)-estren-17-ol-3-one,
ICTXHFFSOAJUMG-SLHNCBLASA-N,
17alpha-Ethinyl-5(10)estraen-17beta-ol-3-one,
88181ACA0M,
17alpha-Ethynyl-estr-5(10)-en-3-on-17beta-ol,
17-alpha-Ethynyl-17-hydroxyestr-5(10)-en-3-one,
17-alpha-Ethynyl-estr-5(10)-en-3-on-17-beta-ol,
17alpha-Ethinyl-delta(sup)-5,10-19-nortestosterone,
17alpha-Ethynyl-17beta-hydroxyestr-5(10)-en-3-one,
Noretynodrel (INN),
Noretynodrel [INN],
Estr-5(10)-en-3-one, 17alpha-ethynyl-17-hydroxy-,
17-alpha-Ethinyl-delta(super)-5,10-19-nortestosterone,
17-beta-Hydroxy-17-alpha-ethinyl-5(10)-estren-3-one,
17-Hydroxy(17alpha)-19-norpregn-5(10)-en-20-yn-3-one,
17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-20-yn-3-one,
17alpha-Ethynyl-19-nor-5(10)-androsten-17beta-ol-3-one,
SMR000058915,
(17-alpha)-17-Hydroxy-19-norpregn-5(10)-en-20-yn-3-one,
17-alpha-Ethynyl-19-nor-5(10)-androsten-17-beta-ol-3-one,
17alpha-Ethinyl-17beta-hydroxy-delta(sup 5(10))-estren-3-one,
17alpha-Ethinyl-19-nor-delta-5(10)-androstene-17beta-ol-3one,
17alpha-Ethynyl-17beta-hydroxy-delta(sup 5(10))-estren-3-one,
19-Nor-17alpha-pregn-5(10)-en-20-yn-3-one, 17-hydroxy-,
17-alpha-Ethinyl-17-beta-hydroxy-delta(sup 5(10))-estren-3-one,
17-alpha-Ethynyl-17-beta-hydroxy-3-oxo-delta(sup 5(10))-estrene,
17-alpha-Ethynyl-17-beta-hydroxy-delta(sup. 5(10))-estren-3-one,
17alpha-Ethynyl-17beta-hydroxy-3-oxo-delta(sup 5(10))-estrene,
(8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one,
13-Methyl-17-ethynyl-17-hydroxy-1,2,3,4,6,7,8,9,11,12,13,14,16,17-tetradecahydro-15H-cyclopenta(a)-phenanthrene-3-one,
(17beta)-17-ethynyl-17-hydroxyestr-5(10)-en-3-one,
Noretinodrel,
Noretynodrelum,
19-Nor-17-alpha-pregn-5(10)-en-20-yn-3-one, 17-hydroxy-,
Norethynodrel [USAN:BAN],
Norethynodrel [USAN:USP],
Norethylnodrel,
NSC15432,
19-Norpregn-5(10)-en-20-yn-3-one, 17-hydroxy-, (17.alpha.)-,
CAS-68-23-5,
NCGC00016304-01,
Prestwick_883,
Norethynodrel (USP),
17-Ethynyl-17-hydroxyestr-5(10)-en-3-one,
DSSTox_CID_563,
Opera_ID_1052,
Prestwick0_000024,
Prestwick1_000024,
Prestwick2_000024,
Prestwick3_000024,
17-.alpha.-Ethynyl-17-hydroxyestr-5(10)-en-3-one,
17.alpha.-Ethinyl-.DELTA.5(10)-19-nortestosterone,
17-.alpha.-Ethinyl-.DELTA.5(10)-19-nortestosterone,
17.alpha.-Hydroxy-19-norpregn-5(10)-en-20-yn-3-one,
5(10)-Estren-3-one, 17alpha-ethynyl-17beta-hydroxy-,
AC1L1M2U,
17.alpha.-Ethinyl-.delta.(sup)-5,10-19-nortestosterone,
CHEMBL1387,
DSSTox_RID_75927,
DSSTox_GSID_21069,
SCHEMBL37838,
BSPBio_000087,
17-.alpha.-Ethynyl-17-.beta.-hydroxy-5(10)-estren-3-one,
17-.beta.-Hydroxy-17-.alpha.-ethinyl-5(10)-estren-3-one,
BIDD:ER0192,
SPBio_002008,
(17-.alpha.)-17-Hydroxy-19-norpregn-5(10)-en-20-yn-3-one,
17-.alpha.-Ethynyl-17-.beta.-hydroxy-.DELTA.5(10)-estren-3-one,
17.alpha.-Ethinyl-17.beta.-hydroxy-.DELTA.5(10)-estren-3-one,
17.alpha.-Ethynyl-17.beta.-hydroxy-.DELTA.5(10)-estren-3-one,
17.alpha.-Ethynyl-17.beta.-hydroxy-3-oxo-.DELTA.5(10)-estrene,
BPBio1_000097,
DTXSID3021069,
17-Ethynyl-17-hydroxyestr-.DELTA.5(10)-en-3-one, (17.alpha.,17.beta.)-,
HMS1568E09,
HMS2095E09,
HMS2232J10,
HMS3712E09,
13-methyl-17-ethynyl-17-hydroxy-1,2,3,4,6,7,8,9,11,12,13,14,16,17-tetradecahydro-15h-cyclopenta[a]phenanthren-3-one,
Tox21_110359,
BDBM50410507,
AKOS026749810,
ZINC118913164,
API0003629,
CCG-220024,
LS-7624,
NCGC00179666-01,
C14249,
D05207,
WLN: L E5 B666OV MUTJ E1 F1UU1 QQ,
(17beta-ethynyl-17-hydroxyestr-5(10)-en-3-one,
SR-01000721945,
SR-01000721945-2,
BRD-K80334323-001-03-5,
Estr-5(10)-en-3-one,17.alpha.-ethynyl-17-hydroxy-,
(17|A)-17-hydroxy-19-Norpregn-5(10)-en-20-yn-3-one,
17-Hydroxy-19-nor-17|A-pregn-5(10)-en-20-yn-3-one,
17-hydroxy-19-nor-17alpha-pregn-5(10)en-20-yn-3-one,
19-Nor-17alpha-pregn-5(10)-en-20-yn-3-one, 17-hydroxy- (8CI),
Enovid,
Infecundin,
Enovid-E,
noretynodrel-,
Enidrel (VAN),
Mixture Name,
component of Enovid,
ENOVID-E 21,
C20H26O2,
CID6231,
17.alpha.-Ethinyl-5,10-estrenolone,
C20-H26-O2,
CS-T-59718,
17.alpha.-Ethinyl-estra(5,10)eneolone,
Norethynodrel, (8 alpha)-(+-)-Isomer,
4-08-00-01222 (Beilstein Handbook Reference),
17.alpha.-Ethynyl-5(10)-estren-17-ol-3-one,
D009641,
17.alpha.-Ethynyl-17-hydroxy-5(10)-estren-3-one,
17.alpha.-Ethynylestr-5(10)-en-17.beta.-ol-3-one,
17.alpha.-Ethynyl-estr-5(10)-en-3-on-17.beta.-ol,
Estr-5(10)-en-3-one, 17.alpha.-ethynyl-17-hydroxy-,
17.alpha.-Ethynyl-17.beta.-hydroxyestr-5(10)-en-3-one,
17-Hydroxy(17.alpha.)-19-norpregn-5(10)-en-20-yn-3-one,
17-Hydroxy-19-nor-17.alpha.-pregn-5(10)-en-20-yn-3-one,
19-Norpregn-5(10)-en-20-yn-3-one,17-hydroxy-, (17a)-,
17.alpha.-Ethynyl-19-nor-5(10)-androsten-17.beta.-ol-3-one,
19-nor-17.alpha.-Pregn-5(10)-en-20-yn-3-one, 17-hydroxy-,
8015-30-3,
|
| Complexity | 606 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 298.193g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.426g/mol |
| Monoisotopic Mass | 298.193g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number
Related Research Chemicals
CERTIFICATE OF ANALYSIS
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Analysis Data:
| Test: | Result: |
Conclusion: The above product meets the specifications of Angene.
Analyst:Chase
Date:
Reviewed by:Jessie
Date:
Angene International Limited