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

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

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

CAS No:
118517-21-8
Formula:
C35H49ClN2O2
Chemical Name:
2-[(1S,2R,5S,7R,9S,11S,12S,15R,16R)-5-chloro-2,16-dimethyl-15-[(2R)-6-methylheptan-2-yl]-8-azapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-8-yl]isoindole-1,3-dione
Synonyms:
UNII-C7FY2ZEZ7H;C7FY2ZEZ7H;118517-21-8;3beta-Chloro-5alpha-cholestano(5,6-b)-N-phthalimidoaziridine;CCRIS 5351;5alpha)-(3beta3-chloro-5-cholestano(5,6-b)-N-phthalimidoaziridine;3BETA-CHLORO-5ALPHA-CHOLESTANO[5,6-B]-N-PHTHALIMIDOAZIRIDINE;DTXSID20922699;Q27896557;3-Chloro-5-cholestano(5,6-b)-N-phthalimidoaziridine, (3beta, 5alpha)-;2-[3-Chloro-9a,11b-dimethyl-9-(6-methylheptan-2-yl)hexadecahydro-5H-cyclopenta[1,2]phenanthro[8a,9-b]aziren-5-yl]-1H-isoindole-1,3(2H)-dione

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

Molecular Weight：

565.2 g/mol

Exact Mass：

564.3482565 g/mol

UNII：

C7FY2ZEZ7H

Characteristics

PSA：

40.4 Å²

Computed Properties

Molecular Weight:565.2
XLogP3:10.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:564.3482565
Monoisotopic Mass:564.3482565
Topological Polar Surface Area:40.4
Heavy Atom Count:40
Complexity:1020
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Computed Properties

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