 Home > Encyclopedia > [(5S,10S,13S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] (2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoate

[(5S,10S,13S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] (2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoate

[(5S,10S,13S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] (2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoate structure

CAS No:
89083-93-2
Formula:
C25H38ClN3O5
Chemical Name:
[(5S,10S,13S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] (2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoate
Synonyms:
2-chloroethylnitrosocarbamoylalanine 17-dihydrotestosterone ester;CNC-ALA-DHT-17-ester;89083-93-2;Cnc-ala-dht-17-ester;DTXSID101008642;[(5S,10S,13S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] (2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoate;L-Alanine, N-(((2-chloroethyl)nitrosoamino)carbonyl)-, (5alpha,17beta)-3-oxoandrostan-17-yl ester;2-Chloroethylnitrosocarbamoylalanine 17-dihydrotestosterone ester;N-(2-Chloroethyl)-N-nitroso-N'-{1-oxo-1-[(3-oxoandrostan-17-yl)oxy]propan-2-yl}carbamimidic acid

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[(5S,10S,13S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] (2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoate Basic Attributes

Molecular Weight：

496.0 g/mol

Exact Mass：

495.2499990 g/mol

Characteristics

PSA：

105 Å²

Drug Information

MeSH Entry Terms：

2-chloroethylnitrosocarbamoylalanine 17-dihydrotestosterone ester

Computed Properties

Molecular Weight:496.0
XLogP3:4.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:495.2499990
Monoisotopic Mass:495.2499990
Topological Polar Surface Area:105
Heavy Atom Count:34
Complexity:839
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [(5S,10S,13S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] (2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoate

Basic Attributes
Characteristics
Drug Information
Computed Properties

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