danazol

(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

CAS: 17230-88-5

Molecular Formula	`C22H27NO2`
Molecular Weight	337.5 g/mol
LogP	3.8
Topological Polar Surface Area	46.3 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	1
Exact Mass	337.2042
Heavy Atoms	25
Complexity	677.0

Chemical Identifiers

CAS Number	17230-88-5
SMILES	`CC12CCC3C(C1CCC2(C#C)O)CCC4=CC5=C(CC34C)C=NO5`
InChIKey	`POZRVZJJTULAOH-LHZXLZLDSA-N`

📖 Product Overview

danazol (CAS: 17230-88-5) is a chemical compound with molecular formula C22H27NO2 and molecular weight 337.5 g/mol. Its IUPAC systematic name is (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. LogP 3.8 Topological Polar Surface Area 46.3 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 1 Exact Mass 337.2042 Heavy Atoms 25 Complexity 677.0 InChI Key: POZRVZJJTULAOH-LHZXLZLDSA-N. SMILES: CC12CCC3C(C1CCC2(C#C)O)CCC4=CC5=C(CC34C)C=NO5.

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