17-[2-[4-[bis(2-chloroethyl)amino]phenyl]sulfanylacetyl]-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
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![17-[2-[4-[bis(2-chloroethyl)amino]phenyl]sulfanylacetyl]-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/f9be15b9d93f4cd39fb7795b39867fbb.png "17-[2-[4-[bis(2-chloroethyl)amino]phenyl]sulfanylacetyl]-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one")
17-[2-[4-[bis(2-chloroethyl)amino]phenyl]sulfanylacetyl]-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
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CAS No:
24141-92-2
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Formula:
C31H41Cl2NO4S
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Chemical Name:
17-[2-[4-[bis(2-chloroethyl)amino]phenyl]sulfanylacetyl]-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
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Synonyms:
24141-92-2;NSC110392;21-({4-[bis(2-chloroethyl)amino]phenyl}sulfanyl)-11,17-dihydroxypregn-4-ene-3,20-dione;DTXSID70946961;NSC-110392
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CAS No:
17-[2-[4-[bis(2-chloroethyl)amino]phenyl]sulfanylacetyl]-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one Basic Attributes
594.6 g/mol
593.2133354 g/mol
110392
Computed Properties
Molecular Weight:594.6
XLogP3:5.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:593.2133354
Monoisotopic Mass:593.2133354
Topological Polar Surface Area:103
Heavy Atom Count:39
Complexity:964
Undefined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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