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Compound Summary

CYPROTERONE ACETATE

Compound Information

CYPROTERONE ACETATE

Compound Name:	CYPROTERONE ACETATE
Compound CID:	9880
Synonyms:	CYPROTERONE ACETATE 427-51-0 Androcur Cyproterone 17-O-acetate Cyproteroneacetate More...
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
InChIKey:	UWFYSQMTEOIJJG-FDTZYFLXSA-N
Canonical Smiles:	CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)C5CC5C34C)Cl)C)OC(=O)C
Isomeric Smiles:	CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)[C@@H]5C[C@@H]5[C@]34C)Cl)C)OC(=O)C
Molecular Weight:	416.9
Molecular Formula:	C24H29ClO4

Compound Structure

2D Structure:

3D Structure:

Computed Properties

CYPROTERONE ACETATE

Molecular Weight:	416.9
Molecular Formula:	C24H29ClO4
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	3
Heavy Atom Count:	29
Complexity:	903

Synonyms

CYPROTERONE ACETATE

CYPROTERONE ACETATE	CYPROTERONE ACETATE
CYPROTERONE ACETATE	427-51-0
Androcur	Cyproterone 17-O-acetate
Cyproteroneacetate	Cyproteron acetate
Cyproteron-R acetate	SH 714
Cyprosterone acetate	NSC-81430
UNII-4KM2BN5JHF	SH 80714
SH-714	4KM2BN5JHF
Cyproterone 17.alpha.-acetate	MLS000859908
CHEMBL139835	(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-tetradecahydrocyclopentaacyclopropagphenanthren-1-yl acetate
3H-Cyclopropa(1,2)pregna-1,4,6-triene-3,20-dione, 17-(acetyloxy)-6-chloro-1,2-dihydro-, (1beta,2beta)-	CHEBI:50743
NSC81430	6-Chloro-1beta,2beta-dihydro-17-hydroxy-3H-cyclopropa(1,2)-pregna-1,4,6-triene-3,20-dione acetate
NCGC00091032-03	DSSTox_CID_366
DSSTox_RID_75542	DSSTox_GSID_20366
6-chloro-3,20-dioxo-1beta,2beta-dihydro-3H-cyclopropa1,2pregna-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
SMR000326769	CCRIS 4385
HSDB 3592	SR-01000075755
EINECS 207-048-3	NSC 81430
Cyprostat®	cyproterone-acetate
(1?,2?)-17-(Acetyloxy)-6-chloro-1,2-dihydro-3H-cyclopropa1,2pregna-1,4,6-triene-3,20-dione	CAS-427-51-0
MFCD00864671	2oz7
6-Chloro-delta-6-1,2alpha-methylene-17alpha-hydroxyprogesterone acetate	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	cid_9880
SCHEMBL5936	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
Pregna-4,6-diene-3,20-dione, 6-chloro-17-hydroxy-1-alpha,2-alpha-methylene-, acetate	BIDD:PXR0052
Lopac0_000301	3H-Cyclopropa1,2pregna-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	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-tetradecahydrocyclopentaacyclopropagphenanthren-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
CCG-204396	DB04839
LP00301	SDCCGSBI-0050289.P002
NCGC00091032-01	NCGC00091032-04
NCGC00091032-05	NCGC00091032-09
NCGC00091032-12	NCGC00256442-01
NCGC00259235-01	NCGC00260986-01
NCGC00262575-02	Progesterone,2.alpha.-methylene, acetate
3H-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-3H-cyclopropa(1,2)pregna-1,4,6-triene-3,20-dione 17-acetate
SMR000686068	ST075180
Progesterone,2.alpha.-methylene-, acetate	(acetyl-chloro-dimethyl-oxo-?yl) acetate
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
Q426185	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.,2pregna-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	3H-Cyclopropa1,4,6-triene-3,20-dione, 17-(acetyloxy)-6-chloro-1,2-dihydro-, (1.beta.,2.beta.)-"
3H-Cyclopropa1,4,6-triene-3,20-dione, 6-chloro-1.beta.,2.beta.-dihydro-17-hydroxy-, acetate"	3H-Cyclopropa1,4,6-triene-3,20-dione, 6-chloro-1.beta.,2.beta.-dihydro-17-hydroxy-,acetate"
6-chloro-3,20-dioxo-1beta,2beta-dihydro-3H-cyclopropa1,2pregna-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-cyclopropa1,2cyclopentaaphenanthren-17-yl ester

Experimental Data

CYPROTERONE ACETATE

Species	Dose	Unit	Control(Avg days)	Treatment(Avg days)	Avg/Med Lifespan Change(%)	Control(Max days)	Treatment(Max days)	Max Lifespan Change(%)	Significant	Strain	Gender	PubMed	Avg/Med Lifespan Change tab
Caenorhabditis elegans	33.000000000000000	umol/L			23.000000000000000				S	N2		33683565	Active
Caenorhabditis elegans	176.000000000000000	umol/L			23.000000000000000				S	N2		24134630	Active

Experimental Data Visualization

CYPROTERONE ACETATE

Statistics Data

CYPROTERONE ACETATE

Species	Avg/Med Lifespan Change(%)	Max Lifespan Change(%)	Count Reference	Count Data point
Caenorhabditis elegans	23.000000000000000		2	2

Statistics Data Visualization

CYPROTERONE ACETATE

Compound Name:

CYPROTERONE ACETATE

Compound CID:

9880

Synonyms:

CYPROTERONE ACETATE 427-51-0 Androcur Cyproterone 17-O-acetate Cyproteroneacetate More...

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

InChIKey:

UWFYSQMTEOIJJG-FDTZYFLXSA-N

Canonical Smiles:

CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)C5CC5C34C)Cl)C)OC(=O)C

Isomeric Smiles:

CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)[C@@H]5C[C@@H]5[C@]34C)Cl)C)OC(=O)C

Molecular Weight:

416.9

Molecular Formula:

C24H29ClO4

Molecular Weight:

416.9

Molecular Formula:

C24H29ClO4

Hydrogen Bond Donor Count:

0

Hydrogen Bond Acceptor Count:

4

Rotatable Bond Count:

3

Heavy Atom Count:

29

Complexity:

903

CYPROTERONE ACETATE

427-51-0

Androcur

Cyproterone 17-O-acetate

Cyproteroneacetate

Cyproteron acetate

Cyproteron-R acetate

SH 714

Cyprosterone acetate

NSC-81430

UNII-4KM2BN5JHF

SH 80714

SH-714

4KM2BN5JHF

Cyproterone 17.alpha.-acetate

MLS000859908

CHEMBL139835

(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-tetradecahydrocyclopentaacyclopropagphenanthren-1-yl acetate

3H-Cyclopropa(1,2)pregna-1,4,6-triene-3,20-dione, 17-(acetyloxy)-6-chloro-1,2-dihydro-, (1beta,2beta)-

CHEBI:50743

NSC81430

6-Chloro-1beta,2beta-dihydro-17-hydroxy-3H-cyclopropa(1,2)-pregna-1,4,6-triene-3,20-dione acetate

NCGC00091032-03

DSSTox_CID_366

DSSTox_RID_75542

DSSTox_GSID_20366

6-chloro-3,20-dioxo-1beta,2beta-dihydro-3H-cyclopropa1,2pregna-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

SMR000326769

CCRIS 4385

HSDB 3592

SR-01000075755

EINECS 207-048-3

NSC 81430

Cyprostat®

cyproterone-acetate

(1?,2?)-17-(Acetyloxy)-6-chloro-1,2-dihydro-3H-cyclopropa1,2pregna-1,4,6-triene-3,20-dione

CAS-427-51-0

MFCD00864671

2oz7

6-Chloro-delta-6-1,2alpha-methylene-17alpha-hydroxyprogesterone acetate

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

cid_9880

CYPROTERONE ACETATE

427-51-0

Androcur

Cyproterone 17-O-acetate

Cyproteroneacetate

More...