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Compound Summary

danazol

Compound Information

danazol

Compound Name:	danazol
Compound CID:	28417
Synonyms:	danazol Danocrine 17230-88-5 Chronogyn Winobanin More...
Iupac Name:	(1S,2R,13R,14S,17R,18S)-17-ethynyl-2,18-dimethyl-7-oxa-6-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-ol
InChI:	InChI=1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17+,18+,20+,21+,22+/m1/s1
InChIKey:	POZRVZJJTULAOH-LHZXLZLDSA-N
Canonical Smiles:	CC12CCC3C(C1CCC2(C#C)O)CCC4=CC5=C(CC34C)C=NO5
Isomeric Smiles:	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC5=C(C[C@]34C)C=NO5
Molecular Weight:	337.5
Molecular Formula:	C22H27NO2

Compound Structure

2D Structure:

3D Structure:

Computed Properties

danazol

Molecular Weight:	337.5
Molecular Formula:	C22H27NO2
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	1
Heavy Atom Count:	25
Complexity:	677

Synonyms

danazol

danazol	danazol
danazol	Danocrine
17230-88-5	Chronogyn
Winobanin	Danol
Cyclomen	Danazolum
Ladogal	Danzol
Danatrol	Danazol, USP
UNII-N29QWW3BUO	WIN-17757
WIN 17,757	Danazole
N29QWW3BUO	WIN 17757
Danovaol	CHEBI:4315
(1R,3aS,3bR,10aR,10bS,12aS)-1-ethynyl-10a,12a-dimethyl-2,3,3a,3b,4,5,10,10a,10b,11,12,12a-dodecahydro-1H-cyclopenta7,8phenanthro3,2-disoxazol-1-ol	Danokrin
NCGC00164400-01	Danogen
Pregna-2,4-dien-20-yno(2,3-d)isoxazol-17-ol, (17alpha)-	DSSTox_CID_2880
Danazolum INN-Latin	NSC 270916
DSSTox_RID_76772	DSSTox_GSID_22880
Bonzol	Danocrine (TN)
SMR000058321	CCRIS 6747
EINECS 241-270-1	Vasaloc
17-alpha-Pregn-4-en-20-yno(2,3-d)isoxazol-17-ol	Optina
Pregna-2,4-dien-20-yno2,3-disoxazol-17-ol, (17alpha)-	17-alpha-2,4-Pregnadien-20-yno(2,3-d)isoxazol-17-ol
17alpha-Pregna-2,4-dien-20-yno(2,3-d)isoxazol-17-ol	NSC270916
NSC-270916	Win 17, 757
Prestwick_150	CAS-17230-88-5
Danazol USAN:USP:INN:BAN:JAN	ethynyl(dimethyl)?ol
2,3-Isoxazolethisterone	Prestwick0_000105
Prestwick1_000105	Prestwick2_000105
Prestwick3_000105	CHEMBL1479
SCHEMBL21107	BSPBio_000090
(1S,2R,13R,14S,17R,18S)-17-ethynyl-2,18-dimethyl-7-oxa-6-azapentacyclo11.7.0.0^{2,10}.0^{4,8}.0^{14,18}icosa-4(8),5,9-trien-17-ol	MLS001066617
MLS001306473	Danazol (JP17/USP/INN)
SPBio_002029	BPBio1_000100
GTPL6942	DTXSID2022880
2,4,17alpha-Pregnadien-20-yno2,3-d-isoxa-zol-17-ol	Win-17,757
HMS1568E12	HMS2090A22
HMS2095E12	HMS2231M08
HMS3259M10	HMS3712E12
Pregna-2,4-dien-20-yno(2,3-d)isoxazol-17-ol,(17alpha)-	1,2oxazolo4,5:2,3-17alpha-pregn-4-en-20-yn-17-ol
17.Alpha.-Pregna-2, {4-dien-20-yno2,3-disoxazol-17-ol}	BCP11914
HY-B1029	ZINC3881958
Tox21_112114	Tox21_301940
BDBM50423541	MFCD00056838
s9506	AKOS015961192
Tox21_112114_1	AC-6836
CCG-220105	CS-4547
Danazol 100 microg/mL in Acetonitrile	DB01406
MCULE-5533294331	NC00557
NCGC00179665-01	NCGC00179665-02
NCGC00179665-04	NCGC00255335-01
(1R,3aS,3bR,10aR,10bS,12aS)-1-Ethynyl-10a,12a-dimethyl-2,3,3a,3b,4,5,10,10a,10b,11,12,12a-dodecahydro-1H-cyclopenta7,8phenanthro3,2-d1,2oxazol-1-ol	1-Ethynyl-10a,12a-dimethyl-2,3,3a,3b,4,5,10,10a,10b,11,12,12a-dodecahydro-1H-cyclopenta7,8phenanthro3,2-disoxazol-1-ol
AS-13035	C06938
D00289	199957-EP2272825A2
199957-EP2275420A1	230D885
Q419652	SR-01000760722
SR-05000000445	SR-01000760722-2
SR-05000000445-2	W-107864
17a-Pregna-2,4-dien-20-yno2,3-disoxazol-17-ol	BRD-K48970916-001-03-0
(17a)-Pregna-2,4-dien-20-yno2,3-disoxazol-17-ol	17a-Pregna-2,4-dien-20-yne-2,3-disoxazole-17b-ol
1-(P-TOSYL)-3,4,4-TRIMETHYL-2-IMIDAZOLINIUMIODIDE	17 alpha-pregna-2,4-dien-20-yno2,3-D isoxazol-17 beta-ol
Pregna-2, {4-dien-20-yno2,3-disoxazol-17-ol,} (17.alpha.)-	Pregna-2,4-diene-20-yno2,3-d isoxazol-17-ol, (17.alpha.)
(1S,2R,13R,14S,17R,18S)-17-ethynyl-2,18-dimethyl-7-oxa-6-azapentacyclo11.7.0.02,10.04,8.014,18icosa-4(8),5,9-trien-17-ol	1-ethynyl-2,3,3a,3b,4,5,10,10a,10b,11,12,12a-dodecahydro-10a,12a-dimethyl-1H-Cyclopenta7,8phenanthro3,2-disoxazol-1-ol
1H-Cyclopenta7,8phenanthro3,2-disoxazole- pregna-2,4-dien-20-yno2,3-disoxazol-17-ol deriv.

Experimental Data

danazol

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			13.000000000000000				S	N2		24134630	Active
Caenorhabditis elegans	33.000000000000000	umol/L			13.000000000000000				S	N2		33683565	Active

Experimental Data Visualization

danazol

Statistics Data

danazol

Species	Avg/Med Lifespan Change(%)	Max Lifespan Change(%)	Count Reference	Count Data point
Caenorhabditis elegans	13.000000000000000		2	2

Statistics Data Visualization

danazol

Compound Name:

danazol

Compound CID:

28417

Synonyms:

danazol Danocrine 17230-88-5 Chronogyn Winobanin More...

Iupac Name:

(1S,2R,13R,14S,17R,18S)-17-ethynyl-2,18-dimethyl-7-oxa-6-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-ol

InChI:

InChI=1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17+,18+,20+,21+,22+/m1/s1

InChIKey:

POZRVZJJTULAOH-LHZXLZLDSA-N

Canonical Smiles:

CC12CCC3C(C1CCC2(C#C)O)CCC4=CC5=C(CC34C)C=NO5

Isomeric Smiles:

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC5=C(C[C@]34C)C=NO5

Molecular Weight:

337.5

Molecular Formula:

C22H27NO2

Molecular Weight:

337.5

Molecular Formula:

C22H27NO2

Hydrogen Bond Donor Count:

1

Hydrogen Bond Acceptor Count:

3

Rotatable Bond Count:

1

Heavy Atom Count:

25

Complexity:

677

danazol

Danocrine

17230-88-5

Chronogyn

Winobanin

Danol

Cyclomen

Danazolum

Ladogal

Danzol

Danatrol

Danazol, USP

UNII-N29QWW3BUO

WIN-17757

WIN 17,757

Danazole

N29QWW3BUO

WIN 17757

Danovaol

CHEBI:4315

(1R,3aS,3bR,10aR,10bS,12aS)-1-ethynyl-10a,12a-dimethyl-2,3,3a,3b,4,5,10,10a,10b,11,12,12a-dodecahydro-1H-cyclopenta7,8phenanthro3,2-disoxazol-1-ol

Danokrin

NCGC00164400-01

Danogen

Pregna-2,4-dien-20-yno(2,3-d)isoxazol-17-ol, (17alpha)-

DSSTox_CID_2880

Danazolum INN-Latin

NSC 270916

DSSTox_RID_76772

DSSTox_GSID_22880

Bonzol

Danocrine (TN)

SMR000058321

CCRIS 6747

EINECS 241-270-1

Vasaloc

17-alpha-Pregn-4-en-20-yno(2,3-d)isoxazol-17-ol

Optina

Pregna-2,4-dien-20-yno2,3-disoxazol-17-ol, (17alpha)-

17-alpha-2,4-Pregnadien-20-yno(2,3-d)isoxazol-17-ol

17alpha-Pregna-2,4-dien-20-yno(2,3-d)isoxazol-17-ol

NSC270916

NSC-270916

Win 17, 757

Prestwick_150

CAS-17230-88-5

danazol

Danocrine

17230-88-5

Chronogyn

Winobanin

More...