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| CAS Number | 427-51-0 |
| Catalog Number | AG00ILMR(AGN-PC-0WACTN) |
| Chemical Name | Cyproteroneacetate |
| EC Number | 207-048-3 |
| IUPAC Name | [(1S,2S,3S,5R,11R,12S,15R,16S)-15-acetyl-9-chloro-2,16-dimethyl-6-oxo-15-pentacyclo[9.7.0.02,8.03,5.012,16]octadeca-7,9-dienyl] acetate |
| InChI | InChI=1S/C24H29ClO4/c1-12(26)24(29-13(2)27)8-6-16-14-10-20(25)19-11-21(28)15-9-18(15)23(19,4)17(14)5-7-22(16,24)3/h10-11,14-18H,5-9H2,1-4H3/t14-,15+,16-,17-,18-,22-,23-,24-/m0/s1 |
| InChI Key | UWFYSQMTEOIJJG-FDTZYFLXSA-N |
| MDL Number | MFCD00864671 |
| Molecular Formula | C24H29ClO4 |
| Molecular Weight | 416.9377 |
| NSC Number | 81430 |
| SMILES | C[C@]12C(C(Cl)=C[C@]([C@@]1(CC3)[H])([C@]([H])(CC[C@@]4(C(C)=O)OC(C)=O)[C@@]43C)[H])=CC([C@H]5[C@@H]2C5)=O |
| UNII | 4KM2BN5JHF |
| Synonyms | Androcur,
Cyproterone Acetate,
Cyproterone Acetate, (1 alpha,2 alpha)-Isomer,
Cyproterone Acetate, (1 alpha,2 alpha,9 beta,10 alpha)-Isomer,
Cyproterone Acetate, (17 alpha)-Isomer,
CYPROTERONE ACETATE,
427-51-0,
Androcur,
Cyproterone 17-O-acetate,
Cyproteron acetate,
Cyproteron-R acetate,
Cyproteroneacetate,
Cyprosterone acetate,
SH 714,
UNII-4KM2BN5JHF,
SH 80714,
Cyproterone 17alpha-acetate,
NSC-81430,
SH-714,
CCRIS 4385,
Cyproterone acetate [USAN:JAN],
HSDB 3592,
EINECS 207-048-3,
NSC 81430,
4KM2BN5JHF,
C24H29ClO4,
Cyproterone 17.alpha.-acetate,
MLS000859908,
CHEMBL139835,
3'H-Cyclopropa(1,2)pregna-1,4,6-triene-3,20-dione, 17-(acetyloxy)-6-chloro-1,2-dihydro-, (1beta,2beta)-,
CHEBI:50743,
UWFYSQMTEOIJJG-FDTZYFLXSA-N,
NSC81430,
(1R,3aS,3bR,7aR,8aS,8bS,8cS,10aS)-1-acetyl-5-chloro-8b,10a-dimethyl-7-oxo-1,2,3,3a,3b,7,7a,8,8a,8b,8c,9,10,10a-tetradecahydrocyclopenta[a]cyclopropa[g]phenanthren-1-yl acetate,
6-Chloro-1beta,2beta-dihydro-17-hydroxy-3'H-cyclopropa(1,2)-pregna-1,4,6-triene-3,20-dione acetate,
NCGC00091032-03,
DSSTox_CID_366,
6-Chloro-delta-6-1,2alpha-methylene-17alpha-hydroxyprogesterone acetate,
Cyproterone acetate, 98%,
1,2-alpha-Methylene-6-chloro-delta(sup 6)-17-alpha-hydroxyprogesterone acetate,
1,2-alpha-Methylene-6-chloro-pregna-4,6-diene-3,20-dione 17-alpha-acetate,
6-Chloro-1,2-alpha-methylene-6-dehydro-17-alpha-hydroxyprogesterone acetate,
6-Chloro-delta(sup 6)-1,2-alpha-methylene-17-alpha-hydroxyprogesterone acetate,
1,2-alpha-Methylene-6-chloro-(sup 4,6)-pregnadiene-17-alpha-ol-3,20-dione 17-alpha-acetate,
17-alpha-Acetoxy-6-chloro-1-alpha,2-alpha-methylenepregna-4,6-diene-3,20-dione,
6-Chlor-delta(sup 6)-1,2-alpha-methylen-17-alpha-hydroxyprogesteronacetat [German],
6-Chloro-1,2-alpha-methylene-17-alpha-hydroxy-delta(sup 6)-progesterone acetate,
6-Chloro-17-hydroxy-1-alpha,2-alpha-methylenepregna-4,6-diene-3,20-dione acetate,
DSSTox_RID_75542,
Pregna-4,6-diene-3,20-dione, 6-chloro-17-hydroxy-1-alpha,2-alpha-methylene-, acetate,
DSSTox_GSID_20366,
6-chloro-3,20-dioxo-1beta,2beta-dihydro-3'H-cyclopropa[1,2]pregna-4,6-dien-17-yl acetate,
(1S,2S,3S,12S,16S,5R,11R,15R)-15-acetyl-9-chloro-2,16-dimethyl-6-oxopentacyclo [9.7.0.0<2,8>.0<3,5>.0<12,16>]octadeca-7,9-dien-15-yl acetate,
3'H-Cyclopropa(1,2)pregna-1,4,6-triene-3,20-dione, 6-chloro-1-beta,2-beta-dihydro-17-hydroxy-, acetate,
6-Chloro-1-beta,2-beta-dihydro-17-hydroxy-3'H-cyclopropa(1,2)pregna-1,4,6-triene-3,20-dione 17-acetate,
SMR000326769,
SR-01000075755,
Cyprostat®,
cyproterone-acetate,
(1?,2?)-17-(Acetyloxy)-6-chloro-1,2-dihydro-3'H-cyclopropa[1,2]pregna-1,4,6-triene-3,20-dione,
CAS-427-51-0,
MFCD00864671,
2oz7,
cid_9880,
SCHEMBL5936,
BIDD:PXR0052,
Lopac0_000301,
3'H-Cyclopropa[1,2]pregna-1,4,6-triene-3,20-dione, 17-(acetyloxy)-6-chloro-1,2-dihydro-, (1.beta.,2.beta.)-,
MLS001055462,
MLS001066353,
MLS002207305,
MLS006011110,
Cyproterone acetate, >=98%,
Cyproterone Acetate Impurity F,
(non-d)Cyproterone acetate-d5,
AC1L1U14,
GTPL2865,
DTXSID5020366,
HMS2090A14,
HMS2233J06,
HMS3260N04,
(2aR,3aS,3bS,3cS,5aS,6R,8aS,8bR)-6-acetyl-10-chloro-3b,5a-dimethyl-2-oxo-2,2a,3,3a,3b,3c,4,5,5a,6,7,8,8a,8b-tetradecahydrocyclopenta[a]cyclopropa[g]phenanthren-6-yl acetate,
ZINC3814423,
Tox21_111064,
Tox21_201686,
Tox21_302941,
Tox21_500301,
AC-929,
BDBM50094569,
DL-368,
s2042,
6-Chlor-delta(sup 6)-1,2-alpha-methylen-17-alpha-hydroxyprogesteronacetat,
AKOS008901350,
AKOS015895238,
Tox21_111064_1,
AN-5495,
CCG-204396,
DB04839,
LP00301,
NCGC00091032-01,
NCGC00091032-04,
NCGC00091032-05,
NCGC00091032-09,
NCGC00256442-01,
NCGC00259235-01,
NCGC00260986-01,
NCGC00262575-02,
Progesterone,2.alpha.-methylene, acetate,
BC201848,
CC-26170,
LS-58799,
SC-16128,
SMR000686068,
ST075180,
Progesterone,2.alpha.-methylene-, acetate,
(acetyl-chloro-dimethyl-oxo-[?]yl) acetate,
AB2000446,
1,6-diene-3,20-dione 17.alpha.-acetate,
EU-0100301,
C 3412,
D01368,
49714-EP2280012A2,
49714-EP2295426A1,
49714-EP2295427A1,
49714-EP2298768A1,
49714-EP2311825A1,
AB00698312-08,
1,6)-pregnadeine-17.alpha.-3,20-dione acetate,
427C510,
C-22019,
SR-01000075755-1,
SR-01000075755-4,
SR-01000075755-6,
W-106262,
1,6)-pregnadiene-17.alpha.-ol-3,20-dione acetate,
BRD-K41141507-001-16-2,
WLN: L F3 E6 D665 IV JU LUTJ A1 E1 RV1 RQ,
17.alpha.-Acetoxy-6-chloro-1.alpha.,6-diene-3,20-dione,
6-Chloro-17-hydroxy-1.alpha.,6-diene-3,20-dione acetate,
1,6)-pregnadiene-17.alpha.-ol-3,20-dione 17alpha-acetate,
6-Chloro-1.beta.,2]pregna-1,4,6-triene-3,20-dione acetate,
Cyproterone acetate, European Pharmacopoeia (EP) Reference Standard,
6-chloro-17-acetoxy-1alpha,2alpha-methylene-4,6-pregnadiene-3,20-dione,
1,2.alpha.-Methylene-6-chloro-.delta.(sup 6)-17.alpha.-hydroxyprogesterone acetate,
17alpha-acetoxy-6-chloro-1alpha,2alpha-methylene-4,6-pregnadiene-3,20-dione,
6-Chloro-.delta.(sup 6)-1,2.alpha.-methylene-17.alpha.-hydroxyprogesterone acetate,
6-Chloro-1,2.alpha.-methylene-17.alpha.-hydroxy-.delta.(sup 6)-progesterone acetate,
6-Chloro-1,2.alpha.-methylene-6-dehydro-17.alpha.-hydroxyprogesterone acetate,
Cyproterone acetate for peak identification, European Pharmacopoeia (EP) Reference Standard,
Pregna-4,20-dione, 6-chloro-17-hydroxy-1.alpha.,2.alpha.-methylene-, acetate,
3'H-Cyclopropa[1,4,6-triene-3,20-dione, 17-(acetyloxy)-6-chloro-1,2-dihydro-, (1.beta.,2.beta.)-,
3'H-Cyclopropa[1,4,6-triene-3,20-dione, 6-chloro-1.beta.,2.beta.-dihydro-17-hydroxy-, acetate,
3'H-Cyclopropa[1,4,6-triene-3,20-dione, 6-chloro-1.beta.,2.beta.-dihydro-17-hydroxy-,acetate,
6-chloro-3,20-dioxo-1beta,2beta-dihydro-3''H-cyclopropa[1,2]pregna-4,6-dien-17-yl acetate,
acetic acid (8R,9S,10S,13S,14S,17R)-17-acetyl-6-(S)-chloro-10,13-dimethyl-3-(R)-oxo-1,2,3,8,9,10,11,12,13,14,15,16,17,20-tetradecahydro-cyclopropa[1,2]cyclopenta[a]phenanthren-17-yl ester,
cyproterone,
Cyprostat,
cyproviron,
null,
Cyproterone acetate (JAN/USAN),
C24-H29-Cl-O4,
CID9880,
ACN-037583,
CS-O-01143,
Cyproterone Acetate, (17 alpha)-Isomer,
A8404,
C2942,
Cyproterone Acetate, (1 alpha,2 alpha)-Isomer,
D017373,
Cyproterone Acetate, (1 alpha,2 alpha,9 beta,10 alpha)-Isomer,
2098-66-0,
Cyproterone acetate, 98%, an androgen receptor (AR) antagonist - 1G 1g,
3'h-ciclopropa[1,2]pregna-1,4,6-trieno-3,20-diona, 17-(acetiloxi)-6-cloro-1,2-dihidro-, (1?,2?)-,
6-chloro-1-beta,2-beta-dihydro-17-hydroxy-3'H-cyclopropa[1,2]pregna-1,4,6-triene-3,20-dione 17-acetate,
CA4,
|
| Complexity | 903 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 8 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 416.175g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 416.942g/mol |
| Monoisotopic Mass | 416.175g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 60.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
| Symbol: | |
| Hazard Class | |
| Hazard statements | H312-H332 |
| Packing Group | |
| Precautionary statements | P280 |
| UN Code |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
| Storage Temperature: | ||
| Formula: | ||
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| Test: | Result: |

