 Home > Encyclopedia > [(1S,2S,8S,11R,12S,15S,16S)-2,16-dimethyl-6-oxo-5-azatetracyclo[9.7.0.02,8.012,16]octadecan-15-yl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate

[(1S,2S,8S,11R,12S,15S,16S)-2,16-dimethyl-6-oxo-5-azatetracyclo[9.7.0.02,8.012,16]octadecan-15-yl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate

[(1S,2S,8S,11R,12S,15S,16S)-2,16-dimethyl-6-oxo-5-azatetracyclo[9.7.0.02,8.012,16]octadecan-15-yl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate structure

CAS No:
131959-75-6
Formula:
C33H48Cl2N2O3
Chemical Name:
[(1S,2S,8S,11R,12S,15S,16S)-2,16-dimethyl-6-oxo-5-azatetracyclo[9.7.0.02,8.012,16]octadecan-15-yl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
Synonyms:
131959-75-6;NSC622554;NSC 622554;DTXSID40927429;17beta-Hydroxy-3-aza-A-homo-5alpha-androstan-4-one p-(N,N-bis(2-chloroethyl)amino)phenylbutyrate;3-Aza-A-homoandrostan-4-one, 17-(4-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxobutoxy)-, (5alpha,17beta)-;17.beta.-Hydroxy-3-aza-A-homo-5.alpha.-androstan-4-one p-[N,N-bis(2-chloroethyl)amino]phenylbutyrate;2-Hydroxy-5a,7a-dimethyl-1,4,5,5a,5b,6,7,7a,8,9,10,10a,10b,11,12,12a-hexadecahydrocyclopenta[5,6]naphtho[1,2-d]azepin-8-yl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate;3-Aza-A-homoandrostan-4-one, 17-[4-[4-[bis(2-chloroethyl)amino]phenyl]-1-oxobutoxy]-, (5a,17b)-

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[(1S,2S,8S,11R,12S,15S,16S)-2,16-dimethyl-6-oxo-5-azatetracyclo[9.7.0.02,8.012,16]octadecan-15-yl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate Basic Attributes

Molecular Weight：

591.6 g/mol

Exact Mass：

590.3041988 g/mol

Characteristics

PSA：

58.6 Å²

Computed Properties

Molecular Weight:591.6
XLogP3:7.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:11
Exact Mass:590.3041988
Monoisotopic Mass:590.3041988
Topological Polar Surface Area:58.6
Heavy Atom Count:40
Complexity:874
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [(1S,2S,8S,11R,12S,15S,16S)-2,16-dimethyl-6-oxo-5-azatetracyclo[9.7.0.02,8.012,16]octadecan-15-yl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate

Basic Attributes
Characteristics
Computed Properties
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