Testosterone mustard

[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate

Also Known As: Testosterone mustard|Prasterone mustard|Dehydroepiandrosterone mustard|Androst-5-en-17-one, (3.beta.)-|NCI60_000498|(3beta)-3-(((4-(Bis(2-chloroethyl)amino)phenyl)acetyl)oxy)androst-5-en-17-one|Androst-5-en-17-one, [p-[bis(2-chloroethyl)amino]phenyl]acetate|Androst-5-en-17-one, 3-(((4-(bis(2-chloroethyl)amino)phenyl)acetyl)oxy)-, (3beta)-|Androst-5-en-17-one, 3beta-hydroxy-, (p-(bis(2-chloroethyl)amino)phenyl)acetate|[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate|3 beta-hydroxyandrost-5-en-17-one p-(bis(2-chloroethyl)amino)phenylacetate|3beta-[[[4-[Bis(2-chloroethyl)amino]phenyl]acetyl]oxy]androst-5-en-17-one|[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,|3.beta.-Hydroxyandrost-5-en-17-one-p-[bis(2-chloroethyl)aminophenyl]acetate|Androst-5-en-17-one, 3-[[[4-[bis(2-chloroethyl)amino]phenyl]acetyl]oxy]-, (3.beta.)-|(3aS,3bR,7S,9aR,9bS,11aS)-9a,11a-dimethyl-1-oxo-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl 2-{4-[bis(2-chloroethyl)amino]phenyl}acetate|(8S,9S,10R,13S,14S,17R)-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|(8S,9S,10R,13S,14S,17S)-17-[2-[4-[bis(2-chloroethyl)amino]phenyl]sulfanylacetyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Molecular Formula	C31H41Cl2NO3
Molecular Weight	545.24634 g/mol
LogP	6.7
Topological Polar Surface Area	46.6 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	9
Exact Mass	545.24634
Monoisotopic Mass	545.24634
Heavy Atoms	37
Complexity	878.0

Chemical Identifiers

CAS Number	24141-92-2
SMILES	C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CC5=CC=C(C=C5)N(CCCl)CCCl)C
InChIKey	XMEZZNCIZQQXCV-AXOMYGEFSA-N