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AG003DVW
51-98-9 | (17α)-17-(Acetyloxy)-19-norpregn-4-en-20-yn-3-one
AG003DVW
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| CAS Number | 51-98-9 |
| Catalog Number | AG003DVW(AGN-PC-0SBUNW) |
| Chemical Name | (17α)-17-(Acetyloxy)-19-norpregn-4-en-20-yn-3-one |
| EC Number | 200-132-0 |
| IUPAC Name | [(8R,9S,10R,13S,14S,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 |
| InChI | InChI=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 |
| InChI Key | IMONTRJLAWHYGT-ZCPXKWAGSA-N |
| MDL Number | MFCD00271615 |
| Molecular Formula | C22H28O3 |
| Molecular Weight | 340.4559 |
| NSC Number | 22844 |
| SMILES | C[C@@]12[C@](OC(C)=O)(C#C)CC[C@]1([C@]3([C@](CC2)([C@@]4(C(CC3)=CC(=O)CC4)[H])[H])[H])[H] |
| UNII | 9S44LIC7OJ |
| Synonyms | Aygestin,
norethindrone acetate,
norethindrone acetate, (17alpha)-(+-)-isomer,
norethindrone acetate, (17alpha)-isomer,
norethisterone acetate,
Norlutate,
Norethisterone acetate,
19-Norethindrone acetate,
Norethindrone acetate,
51-98-9,
Orlutate,
Norlutin acetate,
ENTA,
19-Norethisterone acetate,
Primolut-Nor,
Aygestin,
Norethindrone 17-acetate,
Norethisteron acetate,
Gestakadin,
Milligynon,
Miniphase,
Monogest,
Progylut,
Norethysterone acetate,
Milli-Anovlar,
Norlutin A,
Norlutine acetate,
19-Norethynyltestosterone acetate,
Norethynyltestosterone acetate,
(17-alpha)-Norethindrone acetate,
17alpha-Ethynyl-19-nortestosterone acetate,
UNII-9S44LIC7OJ,
Norethindrone acetate [USP],
SH 420,
CCRIS 485,
Ethinyl-nortestosterone acetate,
17-alpha-Ethinyl-19-nortestosterone acetate,
17-alpha-Ethynyl-19-nortestosterone acetate,
EINECS 200-132-0,
17-Hydroxy-19-nor-17alpha-pregn-4-en-20-yn-3-one acetate,
NSC 22844,
17alpha-Ethinyl-19-nortestosterone 17beta-acetate,
17alpha-Ethinyl-19-nortestosterone-17beta-acetate,
17alpha-Ethynyl-17-hydroxyestr-4-en-3-one acetate,
BRN 2064104,
9S44LIC7OJ,
17-alpha-Ethinyl-19-nortestosterone-17-beta-acetate,
17-alpha-Ethynyl-17-hydroxyestr-4-en-3-one acetate,
17-Acetoxy-19-nor-17alpha-pregn-4-en-20-yn-3-one,
17-Acetoxy-19-nor-17-alpha-pregn-4-en-20-yn-3-one,
17alpha-Ethynyl-17beta-acetoxy-19-norandrost-4-en-3-one,
17beta-Acetoxy-19-nor-17alpha-pregn-4-en-20-yn-3-one,
CHEBI:7628,
[(8R,9S,10R,13S,14S,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,
17-Hydroxy-19-nor-17-alpha-pregn-4-en-20-yn-3-one acetate,
17beta-Hydroxy-19-nor-17alpha-pregn-4-en-20-yn-3-one acetate,
17-Acetyloxy(17-alpha)-19-norpregn-4-estren-17-beta-ol-acetate-3-one,
19-nor-17alpha-Pregn-4-en-20-yn-3-one, 17-acetoxy-,
Estr-4-en-3-one, 17alpha-ethynyl-17-hydroxy-, acetate,
(17-alpha)-17-(Acetyloxy)-19-norpregn-4-en-20-yn-3-one,
17-alpha-Ethynyl-17-beta-acetoxy-19-norandrost-4-en-3-one,
EN300-49856,
Norethindrone acetate (USP),
Norlutin-A,
19-Nor-17-alpha-pregn-4-en-20-yn-3-one, 17-acetoxy-,
19-Norpregn-4-en-20-yn-3-one, 17-(acetyloxy)-, (17alpha),
(1S,11S,15S,2R,10R,14R)-14-ethynyl-15-methyl-5-oxotetracyclo[8.7.0.0<2,7>.0<11 ,15>]heptadec-6-en-14-yl acetate,
(17beta)-17-ethynyl-3-oxoestr-4-en-17-yl acetate,
SH-420C,
NCGC00183366-01,
Aygestin (TN),
CPD001906776,
17.alpha.-Ethinyl-19-nortestosterone acetate,
17.alpha.-Ethynyl-19-nortestosterone acetate,
17alpha-Ethynyl-19-nortestosterone 17 beta-acetate,
DSSTox_CID_1071,
Norethisterone acetate (Norethindrone acetate),
17-Acetoxy-19-nor-17.alpha.-pregn-4-en-20-yn-3-one,
17.alpha.-Ethinyl-19-nortestosterone 17.beta.-acetate,
AC1L1L8N,
AC1Q1L8G,
19-nor-17.alpha.-Pregn-4-en-20-yn-3-one, 17-acetoxy-,
DSSTox_RID_77006,
DSSTox_GSID_23381,
SCHEMBL37530,
17-Hydroxy-19-nor-17.alpha.-pregn-4-en-20-yn-3-one acetate,
17.beta.-Acetoxy-19-nor-17.alpha.-pregn-4-en-20-yn-3-one,
Norethisterone acetate (JAN),
17-Acetyloxy(17.alpha.)-19-norpregn-4-estren-17.beta.-ol-acetate-3-one,
17.beta.-Hydroxy-19-nor-17.alpha.-pregn-4-en-20-yn-3-one acetate,
17alpha-Ethynyl-17 beta-hydroxy-19-nor-4-androsten-3-one 17-acetate,
CHEMBL1201146,
DTXSID4023381,
IMONTRJLAWHYGT-ZCPXKWAGSA-N,
HMS3259A16,
BCP11908,
HY-B1710,
NSC22844,
ZINC1849528,
Tox21_113371,
NSC-22844,
AKOS016010517,
CS-7730,
NC00575,
CAS-51-98-9,
NCGC00159500-02,
AJ-32012,
AN-24400,
AS-13383,
CC-33073,
CJ-30393,
I039,
LS-97419,
SC-65535,
ST075199,
19-Nor-17alpha-ethynyltestosterone Acetate,
17a-Ethynyl-19-nortestosterone 17b-acetate,
N0450,
ST24038260,
C08152,
D00953,
E yen(1/4)x>>uINCaoCOEthI feminine 17-OOEao yen,
17.alpha.-Ethynyl-17-hydroxyestr-4-en-3-one acetate,
19-Nor-17.alpha.-pregn-4-en-20-yn-3-one, acetate,
BRD-K96037667-001-01-4,
17.alpha.-Ethinyl-19-nortestosterone-17.beta.-acetate,
WLN: L E5 B666 OV MUTJ E FOV1 F1UU1 -B&EF,
(17alpha)-3-oxo-19-norpregn-4-en-20-yn-17-yl acetate,
17.alpha.-Ethynyl-17.beta.-acetoxy-19-norandrost-4-en-3-one,
19-Norethindrone acetate, VETRANAL(TM), analytical standard,
19-Nor-17alpha-pregn-4-en-20-yn-3-one, 17-hydroxy-, acetate,
17|A-OOE(2)>>u-19-E yen(1/4)xO masculineI feminine 17|A-OOEao yen,
19-Nor-17alpha-pregn-4-en-20-yn-3-one, 17-hydroxy-, acetate (8CI),
Norethindrone acetate, United States Pharmacopeia (USP) Reference Standard,
Norethisterone acetate, European Pharmacopoeia (EP) Reference Standard,
17-oC>>u-19-E yen(1/4)x-17|A-OEthcThorn-4-I(c)-20-E(2)>>u-3-I feminine OOEao yen,
17|A-OOE(2)>>u-17|A-oC>>u-19-E yen(1/4)x-4-EthUcThornI(c)-3-I feminine 17-OOEao yen,
Norethisterone acetate for system suitability, European Pharmacopoeia (EP) Reference Standard,
Norlutate,
Norlestrin,
Combipatch,
Activella,
Loestrin,
Progestin,
Mixture Name,
norethisteronacetat-,
component of Zorane,
FEMHRT,
ESTROSTEP FE,
component of Norlestrin,
ESTROSTEP 21,
D0T6RH,
Estr-4-en-3-one, acetate,
LOESTRIN FE 1/20,
C22H28O3,
NORLESTRIN FE 1/50,
MICROGESTIN FE 1/20,
17-ENT,
LOESTRIN 21 1/20,
LOESTRIN FE 1.5/30,
NORLESTRIN 21 1/50,
NORLESTRIN 28 1/50,
CID5832,
NORLESTRIN FE 2.5/50,
MICROGESTIN FE 1.5/30,
LOESTRIN 21 1.5/30,
NORLESTRIN 21 2.5/50,
ACN-032024,
C22-H28-O3,
norethindrone acetate, (17alpha)-isomer,
Norethindrone Acetate/Norethisterone acetate,
4-08-00-01221 (Beilstein Handbook Reference),
norethindrone acetate, (17alpha)-(+-)-isomer,
19-Norethindrone acetate, 98% - 100MG 100mg,
C024262,
19-Norpregn-4-en-20-yn-3-one, (17.alpha.)-,
Progestin (transdermal patch, female contraception),
D000077563,
(17 alpha)-17-(acetyloxy)-19-norpregn-4-en-20-yn-3-one,
19-Norpregn-4-en-20-yn-3-one, 17-(acetyloxy)-, (17?)-,
Estr-4-en-3-one, 17-(acetyloxy)-17-ethynyl-, (17beta)-,
19-Norpregn-4-en-20-yn-3-one, 17-(acetyloxy)-, (17.alpha.)-,
19-Norpregn-4-en-20-yn-3-one, 17-(acetyloxy)-, (17alpha)-,
Progestin (transdermal patch, female contraception), Watson Pharmaceuticals,
Norethindrone acetate (transdermal patch, female contraception), Watson Pharmaceuticals,
38673-38-0,
8015-12-1,
|
| Complexity | 695 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 6 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 340.204g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 340.463g/mol |
| Monoisotopic Mass | 340.204g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
| Symbol: | |
| Hazard statements | |
| Precautionary statements | |
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