[(1S,3aS,3bR,10aR,10bS,12aS)-10a,12a-dimethyl-7-oxo-2,3,3a,3b,4,5,8,9,10,10b,11,12-dodecahydro-1H-indeno[4,5-i][3]benzazepin-1-yl] 3-[bis(2-chloroethyl)amino]-4-methylbenzoate
-
![[(1S,3aS,3bR,10aR,10bS,12aS)-10a,12a-dimethyl-7-oxo-2,3,3a,3b,4,5,8,9,10,10b,11,12-dodecahydro-1H-indeno[4,5-i][3]benzazepin-1-yl] 3-[bis(2-chloroethyl)amino]-4-methylbenzoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/0f8ea8b8c9c84046bccac1361a0c0690.png "[(1S,3aS,3bR,10aR,10bS,12aS)-10a,12a-dimethyl-7-oxo-2,3,3a,3b,4,5,8,9,10,10b,11,12-dodecahydro-1H-indeno[4,5-i][3]benzazepin-1-yl] 3-[bis(2-chloroethyl)amino]-4-methylbenzoate")
[(1S,3aS,3bR,10aR,10bS,12aS)-10a,12a-dimethyl-7-oxo-2,3,3a,3b,4,5,8,9,10,10b,11,12-dodecahydro-1H-indeno[4,5-i][3]benzazepin-1-yl] 3-[bis(2-chloroethyl)amino]-4-methylbenzoate
structure -
-
CAS No:
157757-81-8
-
Formula:
C31H42Cl2N2O3
-
Chemical Name:
[(1S,3aS,3bR,10aR,10bS,12aS)-10a,12a-dimethyl-7-oxo-2,3,3a,3b,4,5,8,9,10,10b,11,12-dodecahydro-1H-indeno[4,5-i][3]benzazepin-1-yl] 3-[bis(2-chloroethyl)amino]-4-methylbenzoate
-
Synonyms:
157757-81-8;17-((3-(Bis(2-chloroethyl)amino)-4-methylbenzoyl)oxy)-3-aza-A-homoandrost-4A-en-4-one;3-Aza-A-homoandrost-4a-en-4-one, 17-((3-(bis(2-chloroethyl)amino)-4-methylbenzoyl)oxy)-, (17-beta)-;DTXSID70935794;2-Hydroxy-5a,7a-dimethyl-4,5,5a,5b,6,7,7a,8,9,10,10a,10b,11,12-tetradecahydrocyclopenta[5,6]naphtho[1,2-d]azepin-8-yl 3-[bis(2-chloroethyl)amino]-4-methylbenzoate
-
CAS No:
[(1S,3aS,3bR,10aR,10bS,12aS)-10a,12a-dimethyl-7-oxo-2,3,3a,3b,4,5,8,9,10,10b,11,12-dodecahydro-1H-indeno[4,5-i][3]benzazepin-1-yl] 3-[bis(2-chloroethyl)amino]-4-methylbenzoate Basic Attributes
561.6 g/mol
560.2572486 g/mol
Computed Properties
Molecular Weight:561.6
XLogP3:6.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:560.2572486
Monoisotopic Mass:560.2572486
Topological Polar Surface Area:58.6
Heavy Atom Count:38
Complexity:921
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Learn More Other Chemicals
-
[(4aS,4bR,8S,10aR,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydro-1H-naphtho[2,1-f]quinolin-8-yl] 3-[bis(2-chloroethyl)amino]-4-methylbenzoate
157757-79-4
-
[(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] 3-[bis(2-chloroethyl)amino]-4-methylbenzoate
157757-78-3
-
propan-2-yl 3-[bis(2-chloroethyl)amino]-4-methylbenzoate
21447-81-4
-
2-(diethylamino)ethyl 3-[bis(2-chloroethyl)amino]-4-methylbenzoate Formula
58278-35-6
-
[(1S,3aS,3bR,10aR,10bS,12aS)-10a,12a-dimethyl-7-oxo-2,3,3a,3b,4,5,8,9,10,10b,11,12-dodecahydro-1H-indeno[4,5-i][3]benzazepin-1-yl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate Formula
99876-94-5
-
heptadecyl 3-[bis(2-chloroethyl)amino]-4-methylbenzoate Formula
21447-82-5
-
[(1S,3aS,3bR,10aR,10bS,12aS)-10a,12a-dimethyl-7-oxo-2,3,3a,3b,4,5,8,9,10,10b,11,12-dodecahydro-1H-indeno[4,5-i][3]benzazepin-1-yl] 2-[4-[bis(2-chloroethyl)amino]phenoxy]acetate Structure
89043-18-5
-
[(1S,3aS,3bR,10aR,10bS,12aS)-10a,12a-dimethyl-7-oxo-2,3,3a,3b,4,5,8,9,10,10b,11,12-dodecahydro-1H-indeno[4,5-i][3]benzazepin-1-yl] 4-[bis(2-chloroethyl)amino]benzoate Structure
157757-77-2
Request for Quotation