RefChem:94073

[(4aS,4bR,6aS,8S,10aS,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-8-yl] 2-[bis(2-chloroethyl)amino]benzoate

Also Known As: Sid 737514|KST-1A2433|KST-1A2434|3-((2-(Bis(2-chloroethyl)amino)benzoyl)oxy)-, (3beta,5alpha)-17a-aza-D-homoandrostan-17-one|[(4aS,4bR,6aS,8S,10aS,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-8-yl] 2-[bis(2-chloroethyl)amino]benzoate|17a-Aza-D-homoandrostan-17-one, 3-((2-(bis(2-chloroethyl)amino)benzoyl)oxy)-, (3-beta,5-alpha)-|3-Hydroxy-13-amino-13,17-seco-5alpha-androstan-17-oic-13,17-lactam 2-N,N-bis(2-chloroethyl)aminobenzoate|(4as,4br,6as,8s,10as,10bs,12as)-10a,12a-dimethyl-2-oxooctadecahydronaphtho[2,1-f]quinolin-8-yl 2-[bis(2-chloroethyl)amino]benzoate|Benzoic acid,2-[bis(2-chloroethyl)amino]-,(4aS,4bR,6aS,8S,10aS,10bS,12aS)-octadecahydro-10a,12a-dimethyl-2-oxonaphtho[2,1-f]quinolin-8-ylester|(4aS,4bR,6aS,8S,10aS,10bS,12aS)-10a,12a-dimethyl-2-oxo-octadecahydronaphtho[2,1-f]quinolin-8-yl 2-[bis(2-chloroethyl)amino]benzoate|(4aS,4bR,6aS,8S,10aS,10bS,12aS)-2-Hydroxy-10a,12a-dimethyl-3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-hexadecahydronaphtho[2,1-f]quinolin-8-yl 2-[bis(2-chloroethyl)amino]benzoate|2-Hydroxy-10a,12a-dimethyl-3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-hexadecahydronaphtho[2,1-f]quinolin-8-yl 2-[bis(2-chloroethyl)amino]benzoate|3-Hydroxy-13-amino-13,17-seco-5alpha-androstan-17-oic-13,17-lactam 2-N,N-bis(2\r\n-chloroethyl)aminobenzoate

Molecular Formula	C30H42Cl2N2O3
Molecular Weight	548.25726 g/mol
LogP	6.6
Topological Polar Surface Area	58.6 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	8
Exact Mass	548.25726
Monoisotopic Mass	548.25726
Heavy Atoms	37
Complexity	836.0

Chemical Identifiers

CAS Number	19475-22-0
SMILES	C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC(=O)N4)C)OC(=O)C5=CC=CC=C5N(CCCl)CCCl
InChIKey	ZHLHJJXYMZLGKL-QPNSFPETSA-N