 Home > Encyclopedia > [(1S,2R,5S,7R,9S,11S,12S,15R,16R)-8-(1,3-dioxoisoindol-2-yl)-2,16-dimethyl-15-[(2R)-6-methylheptan-2-yl]-8-azapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-5-yl] acetate

[(1S,2R,5S,7R,9S,11S,12S,15R,16R)-8-(1,3-dioxoisoindol-2-yl)-2,16-dimethyl-15-[(2R)-6-methylheptan-2-yl]-8-azapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-5-yl] acetate

[(1S,2R,5S,7R,9S,11S,12S,15R,16R)-8-(1,3-dioxoisoindol-2-yl)-2,16-dimethyl-15-[(2R)-6-methylheptan-2-yl]-8-azapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-5-yl] acetate structure

CAS No:
118517-20-7
Formula:
C37H52N2O4
Chemical Name:
[(1S,2R,5S,7R,9S,11S,12S,15R,16R)-8-(1,3-dioxoisoindol-2-yl)-2,16-dimethyl-15-[(2R)-6-methylheptan-2-yl]-8-azapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-5-yl] acetate
Synonyms:
3 beta-acetoxy-N-phthalimido-5 alpha-cholestano(5,6-b)aziridine;3-acetoxycholestanol(5,6-b)(N-phthalimido)aziridine;3-ACPIA;UNII-1LMG3ZH49K;1LMG3ZH49K;118517-20-7;3beta-Acetoxy-5alpha-cholestano(5,6-b)-N-phthalimidoaziridine;CCRIS 5352;2-((3beta,5R,6beta)-3-(acetyloxy)cholestano(5,6-b)azirin-1'(6H)-yl)-1H-isoindole-1,3(2H)-dione;3BETA-ACETOXY-5ALPHA-CHOLESTANO[5,6-B]-N-PHTHALIMIDOAZIRIDINE;3-Acetoxycholestanol(5,6-b)(N-phthalimido)aziridine;3-beta-Acetoxy-5alpha-cholestano(5,6-b)N-phthalimidoaziridine;DTXSID60922698;1H-Isoindole-1,3(2H)-dione, 2-((3-beta,5R,6-beta)-3-(acetyloxy)cholestano(5,6-b)azirin-1'(6H)-yl)-;Q27896540;3beta-Acetoxy-5,6alpha-(phthalimidylimino)-5alpha-cholestane;5-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-9a,11b-dimethyl-9-(6-methylheptan-2-yl)hexadecahydro-2H-cyclopenta[1,2]phenanthro[8a,9-b]aziren-3-yl acetate

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[(1S,2R,5S,7R,9S,11S,12S,15R,16R)-8-(1,3-dioxoisoindol-2-yl)-2,16-dimethyl-15-[(2R)-6-methylheptan-2-yl]-8-azapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-5-yl] acetate Basic Attributes

Molecular Weight：

588.8 g/mol

Exact Mass：

588.39270814 g/mol

UNII：

1LMG3ZH49K

Characteristics

PSA：

66.7 Å²

Drug Information

MeSH Entry Terms：

3 beta-acetoxy-N-phthalimido-5 alpha-cholestano(5,6-b)aziridine

Computed Properties

Molecular Weight:588.8
XLogP3:9.6
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:588.39270814
Monoisotopic Mass:588.39270814
Topological Polar Surface Area:66.7
Heavy Atom Count:43
Complexity:1130
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [(1S,2R,5S,7R,9S,11S,12S,15R,16R)-8-(1,3-dioxoisoindol-2-yl)-2,16-dimethyl-15-[(2R)-6-methylheptan-2-yl]-8-azapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-5-yl] acetate

Basic Attributes
Characteristics
Drug Information
Computed Properties
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