[4aR-(4aα,4bβ,6aα,7α,9aβ,9bα)]-2,4a,4b,5,6,6a,7,8,9,9a,9b,10-Dodecahydro-4a,6a-diMethyl-3-oxo-1H-indeno[5,4-f]quinoline-7-carboxylic Acid Methyl Ester
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[4aR-(4aα,4bβ,6aα,7α,9aβ,9bα)]-2,4a,4b,5,6,6a,7,8,9,9a,9b,10-Dodecahydro-4a,6a-diMethyl-3-oxo-1H-indeno[5,4-f]quinoline-7-carboxylic Acid Methyl Ester
structure -
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CAS No:
166896-62-4
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Formula:
C20H27NO3
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Chemical Name:
[4aR-(4aα,4bβ,6aα,7α,9aβ,9bα)]-2,4a,4b,5,6,6a,7,8,9,9a,9b,10-Dodecahydro-4a,6a-diMethyl-3-oxo-1H-indeno[5,4-f]quinoline-7-carboxylic Acid Methyl Ester
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Synonyms:
ZINC77312101;3-Oxo-4-aza-5|A-|Androst-1,5-diene-17|A-carboxylic Acid Methyl Ester;3-Oxo-4-azaandrosta-1,5-diene-17beta-carboxylic acid methyl ester;methyl (1S,3aS,3bS,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,6,9b,10,11-decahydroindeno[5,4-f]quinoline-1-carboxylate
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CAS No:
[4aR-(4aα,4bβ,6aα,7α,9aβ,9bα)]-2,4a,4b,5,6,6a,7,8,9,9a,9b,10-Dodecahydro-4a,6a-diMethyl-3-oxo-1H-indeno[5,4-f]quinoline-7-carboxylic Acid Methyl Ester Basic Attributes
329.43328
329.199
[4aR-(4aα,4bβ,6aα,7α,9aβ,9bα)]-2,4a,4b,5,6,6a,7,8,9,9a,9b,10-Dodecahydro-4a,6a-diMethyl-3-oxo-1H-indeno[5,4-f]quinoline-7-carboxylic Acid Methyl Ester Use and Manufacturing
Used in the preparation of Finasteride (F342000) impurity.
Computed Properties
Molecular Weight:329.4
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:329.19909372
Monoisotopic Mass:329.19909372
Topological Polar Surface Area:55.4
Heavy Atom Count:24
Complexity:651
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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[4aR-(4aα,4bβ,6aα,7α,9aβ,9bα)]-2,4a,4b,5,6,6a,7,8,9,9a,9b,10-Dodecahydro-4a,6a-diMethyl-3-oxo-1H-indeno[5,4-f]quinoline-7-carboxylic Acid Methyl Ester
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