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AG003DVO
72-33-3 | Mestranol
AG003DVO
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| CAS Number | 72-33-3 |
| Catalog Number | AG003DVO(AGN-PC-0U0G8A) |
| Chemical Name | Mestranol |
| EC Number | 200-777-8 |
| IUPAC Name | (8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol |
| InChI | InChI=1S/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3/t17-,18-,19+,20+,21+/m1/s1 |
| InChI Key | IMSSROKUHAOUJS-MJCUULBUSA-N |
| MDL Number | MFCD00003689 |
| Molecular Formula | C21H26O2 |
| Molecular Weight | 310.4299 |
| SMILES | C[C@@]12[C@](O)(C#C)CC[C@@]1([H])[C@]3([H])CCC4=C(C=CC(OC)=C4)[C@@]3([H])CC2 |
| UNII | B2V233XGE7 |
| Synonyms | Ethinyl Estradiol 3 Methyl Ether,
Ethinyl Estradiol 3-Methyl Ether,
Mestranol,
mestranol,
72-33-3,
Norquen,
Menophase,
Devocin,
Ovastol,
Ethynylestradiol 3-methyl ether,
Mestranolum,
3-Methoxyethynylestradiol,
EE(sub3)ME,
delta-MVE,
Ethynylestradiol methyl ether,
3-Methylethynylestradiol,
EE3ME,
Inostral (steroid),
Mestranolo [DCIT],
3-O-Methylethynylestradiol,
Compound 33355,
3-Methylethynyloestradiol,
3-Methoxyethynyloestradiol,
Mestranolum [INN-Latin],
3-Methoxy-17alpha-ethynylestradiol,
Caswell No. 547A,
Ethinylestradiol 3-methyl ether,
Ethinyloestradiol 3-methyl ether,
Ethynyloestradiol 3-methyl ether,
SC 4725,
17alpha-Ethinyl estradiol 3-methyl ether,
3-Methoxy-17alpha-ethinylestradiol,
17-Ethynylestradiol 3-methyl ether,
3-Methoxy-17alpha-ethinyloestradiol,
3-Methoxy-17alpha-ethynyloestradiol,
17-Ethynyloestradiol 3-methyl ether,
3-Methoxy-17-alpha-ethinylestradiol,
3-Methoxy-17-alpha-ethynylestradiol,
UNII-B2V233XGE7,
17alpha-Ethynylestradiol methyl ether,
3-Methoxy-17-alpha-ethinyloestradiol,
3-Methoxy-17-alpha-ethynyloestradiol,
CCRIS 377,
component of Norinyl,
17-alpha-Ethynyloestradiol methyl ether,
17alpha-Ethinylestradiol 3-methyl ether,
17alpha-Ethynylestradiol 3-methyl ether,
17alpha-Ethynyloestradiol 3-methyl ether,
3-Methoxy-17-ethynyloestradiol-17-beta,
Mestranol [Steroidal oestrogens],
17alpha-Ethinyl oestradiol 3-methyl ether,
17-alpha-Ethinyl estradiol 3-methyl ether,
HSDB 3588,
17-alpha-Ethinyl oestradiol 3-methyl ether,
component of Ortho-Novum,
EINECS 200-777-8,
NSC 84032,
(8R,9S,13S,14S,17R)-17-Ethynyl-3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ol,
EE3-ME,
EPA Pesticide Chemical Code 115401,
17beta-Estradiol, 17-ethynyl-, 3-(methyl ether),
BRN 2625905,
AI3-51798,
MLS000028595,
17-Ethynyl-3-methoxy-1,3,5(10)-oestratien-17-beta-ol,
B2V233XGE7,
CHEBI:6784,
3-Methoxy-17alpha-ethynyl-1,3,5(10)-estratrien-17beta-ol,
3-Methoxy-17alpha-ethynyl-1,3,5(10)-oestratrien-17beta-ol,
17-alpha-Ethynyl-3-methoxy-1,3,5(10)-estratrien-17-beta-ol,
3-Methoxy-17-alpha-ethynyl-1,3,5(10)-estratrien-17-beta-ol,
3-Methoxy-17-alpha-ethynyl-1,3,5(10)-oestratrien-17-beta-ol,
3-Methoxy-17-alpha-19-norpregna-1,3,5(10)-trien-20-yn-17-ol,
3-Methoxy-19-nor-17-alpha-pregna-1,3,5(10)-trien-20-yn-17-ol,
3-Methoxy-19-nor-17alpha-pregna-1,3,5(10)-trien-20-yn-17-ol,
19-Norpregna-1,3,5(10)-trien-20-yn-17-ol, 3-methoxy-, (17alpha)-,
component of Ovulen,
component of Norquen,
(8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol,
NCGC00093347-02,
Estra-1,3,5(10)-trien-17beta-ol, 17-ethynyl-3-methoxy-,
Mestranolo,
SMR000059128,
(17beta)-17-ethynyl-3-(methyloxy)estra-1,3,5(10)-trien-17-ol,
17alpha-19-Norpregna-1,3,5(10)-trien-20-yn-17-ol, 3-methoxy-,
DSSTox_CID_814,
Estra-1,3,5(10)-trien-17-beta-ol, 17-alpha-ethynyl-3-methoxy-,
(+)-17-alpha-Ethynyl-17-beta-hydroxy-3-methoxy-1,3,5(10)-estratriene,
(17-alpha)-3-Methoxy-19-norpregna-1,3,5(10)-trien-20-yn-17-ol,
(+)-17-alpha-Ethynyl-17-beta-hydroxy-3-methoxy-1,3,5(10)-oestratriene,
17-alpha-Ethynyl-3-methoxy-17-beta-hydroxy-delta-1,3,5(10)-estratriene,
17-alpha-Ethynyl-3-methoxy-17-beta-hydroxy-delta-1,3,5(10)-oestratriene,
3,17-beta-Dihydroxy-17-alpha-ethynyl-1,3,5(10)-estratriene-3-methyl ether,
DSSTox_RID_75804,
DSSTox_GSID_20814,
.delta.-MVE,
17-alpha-19-Norpregna-1,3,5(10)-trien-20-yn-17-ol, 3-methoxy-,
19-Nor-17alpha-pregna-1,3,5(10)-trien-20-yn-17-ol, 3-methoxy-,
17-Ethynyl-3-methoxyestra-1,3,5(10)-trien-17-ol,
8027 C. B.,
Mestranol [USAN:INN:BAN:JAN],
NSC84032,
Ethinyl Estradiol 3-Methyl Ether,
CAS-72-33-3,
Prestwick_966,
Mestranol, 99%,
Mestranol [USAN:USP:INN:BAN:JAN],
Opera_ID_872,
Prestwick0_000846,
Prestwick1_000846,
Prestwick2_000846,
Prestwick3_000846,
AC1L1M7F,
SCHEMBL41391,
BSPBio_000831,
MLS001077321,
MLS001424224,
ARONIS24415,
BIDD:ER0199,
SPBio_002752,
Mestranol (JP17/USP/INN),
BPBio1_000915,
ethynylestradiol-3-methyl ether,
GTPL7087,
17-ethynyl-3-methoxyestra-1(10),2,4-trien-17beta-ol,
19-Norpregna-1,3,5(10)-trien-20-yn-17-ol,3-methoxy-, (17a)-,
CHEMBL1201151,
DTXSID0020814,
17-ethynyl-3-methoxyoestra-1(10),2,4-trien-17beta-ol,
BBC/579,
3-Methoxy-19-norpregna-1,3,5(10)-trien-20-yn-17beta-ol,
HMS1570J13,
HMS2051J22,
HMS2097J13,
HMS2230L20,
HMS3714J13,
HY-B0390,
ZINC3815424,
Tox21_111200,
Tox21_301837,
ANW-41268,
SBB066071,
AKOS005267152,
Tox21_111200_1,
ACN-043356,
CCG-101067,
CS-2476,
DB01357,
LS-7485,
MCULE-6161762887,
NC00317,
NCGC00093347-03,
NCGC00093347-05,
NCGC00179410-01,
NCGC00255342-01,
AC-13293,
H072,
8027 C. B,
AB2000526,
TR-031729,
S2125,
Mestranol, VETRANAL(TM), analytical standard,
C07618,
D00575,
003M689,
SR-01000695429,
SR-01000695429-4,
BRD-K31920458-001-03-8,
BRD-K31920458-001-23-6,
Mestranol, European Pharmacopoeia (EP) Reference Standard,
(17beta)-17-ethynyl-3-methoxyestra-1(10),2,4-trien-17-ol,
Mestranol, United States Pharmacopeia (USP) Reference Standard,
17.Alpha.-19-Norpregna-1,3,5(10)-trien-20-yn-17-ol, 3-meth,
(+)-17alpha-Ethynyl-17beta-hydroxy-3-methoxy-1,3,5(10)-estratriene,
(+)-17alpha-Ethynyl-17beta-hydroxy-3-methoxy-1,3,5(10)-oestratriene,
(+ )-17.alpha.-Ethynyl-17.beta.-hydroxy-3-methoxy-1,3, 5(10)-oestratriene,
(+)-17.alpha.-Ethynyl-17.beta.-hydroxy-3-methoxy-1,3, 5(10)-estratriene,
(1S,10R,11S,14R,15S)-14-ethynyl-5-methoxy-15-methyltetracyclo[8.7.0.0;{2,7}.0;{11,15}]heptadeca-2(7),3,5-trien-14-ol,
(1S,11S,15S,10R,14R)-14-ethynyl-5-methoxy-15-methyltetracyclo[8.7.0.0<2,7>.0<1 1,15>]heptadeca-2(7),3,5-trien-14-ol,
(8''S'',9''S'',13''S'',14''S'',17''S'')-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6''H''-cyclopenta[''a'']phenanthren-17-ol,
Inostral,
Norinyl,
Enovid,
Ovulen,
Ortho-novum,
null,
mestranol-,
Mixture Name,
Enovid-E,
component of Enovid,
Norethin 1/50 M,
component of C-Quens,
D0J1ML,
OVULEN-21,
OVULEN-28,
ENOVID-E 21,
ORTHO-NOVUM 2-21,
C21H26O2,
Ethinyl Estradiol 3 Methyl Ether,
Mestranol (JP15/USP/INN),
ORTHO-NOVUM 10-21,
NORETHIN 1/50M-21,
NORETHIN 1/50M-28,
CID6291,
Mestranol [USAN:BAN:INN:JAN],
NORETHINDRONE AND MESTRANOL,
NORINYL 1+50 21-DAY,
NORINYL 1+50 28-DAY,
NORINYL 1+80 21-DAY,
NORINYL 1+80 28-DAY,
ORTHO-NOVUM 1/50 21,
ORTHO-NOVUM 1/50 28,
ORTHO-NOVUM 1/80 21,
Ethynylestradiol 3-monomethyl ether,
ORTHO-N0VUM 1/80 28,
3-O-Methyl-17alpha-ethynylestradiol,
C21-H26-O2,
A8470,
4-06-00-06877 (Beilstein Handbook Reference),
D008656,
17-Ethynyl-3-methoxy-135(10)-estratrien-17beta-o1,
17-Ethynyl-3-methoxyestra-1 3 5(10)-trien-17beta-ol,
17alpha-Ethynyl-3-methoxy-1 3 5(10)-estratrien-17beta-ol,
Alpha.-19-Norpregna-1,3,5(10)-trien-20-yn-17-ol, 3-meth,
3-Methoxy-19-nor-17alpha-pregna-1 3 5(10)-trien-20-yn-17-ol,
17alpha-Ethynyl-3-methoxy-17beta-hydroxy-Delta 1 3 5(10)-estratriene,
19-Nor-17alpha-pregna-135(10)-trien-20-yn-17-ol 3-methoxy-(6CI8CI),
19-norpregna-1, 3,5 (10)-trien-20-in-17-ol, 3-metoxi-, (17 alfa)-,
19-Norpregna-1,3,5(10)-trien-20-yn-17-ol, 3-methoxy-, (17.alpha.)-,
19-Norpregna-1,3,5(10)-trien-20-yn-17-ol, 3-methoxy-, (17?)-,
19-Norpregna-1,3,5(10)-trien-20-yne-17-ol, 3-methoxy-, (17.alpha.)-,
3-Methoxy-19-nor-17alpha-pregna-1 3 5(10)-trien-20-yn-17beta-ol,
19-Nor-17.alfa.-pregna-1, 3,5 (10)-trien-20-yn-17-ol, 3-metoxi-(6CI, 8CI),
|
| Complexity | 519 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 310.193g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 310.437g/mol |
| Monoisotopic Mass | 310.193g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
| Symbol: |   |
| Hazard Class | 6.1 |
| Hazard statements | H315-H319-H351 |
| Packing Group | Ⅲ |
| Precautionary statements | P281-P305+P351+P338 |
| UN Code | UN 2811 |
Certificate of Analysis
Lot Number
Related Research Chemicals
CERTIFICATE OF ANALYSIS
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
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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