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Danazol

CAT: 1596-AR-D06289-03Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-D06289-03Size:250 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
17230-88-5
Synonyms
(17α-Pregna-2,4-dien-20-yno[2,3-d]isoxazol-17-ol) (as per USP)
Molecular Formula
C22H27NO2
Molecular Weight
337.46
API Name
Danazol

Chemical Information

Danazol

Danazol can cause developmental toxicity according to state or federal government labeling requirements.

CAS Number17230-88-5
PubChem CID28417
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
Molecular FormulaC22H27NO2
Molecular Weight337.5
XLogP3.8
Topological Polar Surface Area46.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count25
Formal Charge0
Complexity677
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
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
Chemical Structure
2D Structure
2D structure of Danazol
CAS: 17230-88-5
CID: 28417
Formula: C22H27NO2
MW: 337.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight337.5
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass337.204179104
Monoisotopic Mass337.204179104
Topological Polar Surface Area46.3 Ų
Heavy Atom Count25
Formal Charge0
Complexity677
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
TRC-D145000-1GDanazol
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D145002Danazol-13C3
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RM-D100005-01Danazol Impurity 5
RM-D100003-01Danazol Impurity 3
RM-D100002-01Danazol Impurity 2
TRC-KIT0050-10X1MLDanazol (1.0 mg/mL in acetonitrile)

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