 Home > Encyclopedia > [(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

[(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

[(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 structure

CAS No:
99876-94-5
Formula:
C33H46Cl2N2O3
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] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
Synonyms:
17-hydroxy-3-aza-A-homo-4-androsten-4-one (4-(bis(2-chloroethyl)amino)phenyl)butyrate;HAHA-chlorambucil;99876-94-5;Haha-chlorambucil;[(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;NSC622556;NSC 622556;DAL 16;DTXSID80912430;17-Hydroxy-3-aza-A-homo-4-androsten-4-one (4-(bis(2-chloroethyl)amino)phenyl)butyrate;Cyclopenta[5,6]naphth[1,2-d]azepine, 3-aza-A-homoandrost-4a-en-4-one deriv.;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 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate;3-Aza-A-homoandrost-4a-en-4-one, 17-(4-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxobutoxy)-, (17beta)-;3-Aza-A-homoandrost-4a-en-4-one, 17-[4-[4-[bis(2-chloroethyl)amino]phenyl]-1-oxobutoxy]-, (17b)-

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[(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 Basic Attributes

Molecular Weight：

589.6 g/mol

Exact Mass：

588.2885487 g/mol

Characteristics

PSA：

58.6 Å²

Drug Information

MeSH Entry Terms：

17-hydroxy-3-aza-A-homo-4-androsten-4-one (4-(bis(2-chloroethyl)amino)phenyl)butyrate

Computed Properties

Molecular Weight:589.6
XLogP3:7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:11
Exact Mass:588.2885487
Monoisotopic Mass:588.2885487
Topological Polar Surface Area:58.6
Heavy Atom Count:40
Complexity:929
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [(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

Basic Attributes
Characteristics
Drug Information
Computed Properties
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