 Home > Encyclopedia > (2S)-1-[(3aS,4S,7aS)-4-hydroxy-4-(2-methoxyphenyl)-7,7-diphenyl-1,3,3a,5,6,7a-hexahydroisoindol-2-yl]-2-(2-methoxyphenyl)propan-1-one

(2S)-1-[(3aS,4S,7aS)-4-hydroxy-4-(2-methoxyphenyl)-7,7-diphenyl-1,3,3a,5,6,7a-hexahydroisoindol-2-yl]-2-(2-methoxyphenyl)propan-1-one

(2S)-1-[(3aS,4S,7aS)-4-hydroxy-4-(2-methoxyphenyl)-7,7-diphenyl-1,3,3a,5,6,7a-hexahydroisoindol-2-yl]-2-(2-methoxyphenyl)propan-1-one structure

CAS No:
153438-49-4
Formula:
C37H39NO4
Chemical Name:
(2S)-1-[(3aS,4S,7aS)-4-hydroxy-4-(2-methoxyphenyl)-7,7-diphenyl-1,3,3a,5,6,7a-hexahydroisoindol-2-yl]-2-(2-methoxyphenyl)propan-1-one
Synonyms:
Dapitant;RPR 100893;RPR 103253;RPR-100893;RPR-103253;Dapitant;153438-49-4;Rpr-100893;UNII-NRD5XF638P;NRD5XF638P;CHEMBL38824;Dapitant [INN];(S)-1-((3aS,4S,7aS)-4-hydroxy-4-(2-methoxyphenyl)-7,7-diphenylhexahydro-1H-isoindol-2(3H)-yl)-2-(2-methoxyphenyl)propan-1-one;Rpr 103253;RPR-103253;rpr100893;SCHEMBL121135;ZINC3932681;BDBM50284876;(2S)-1-[(3aS,4S,7aS)-4-hydroxy-4-(2-methoxyphenyl)-7,7-diphenyl-1,3,3a,5,6,7a-hexahydroisoindol-2-yl]-2-(2-methoxyphenyl)propan-1-one;Q1165545;(3aS,4S,7aS)-7,7-diphenyl-4-(2-methoxyphenyl)-2-[(S)-2-(2-methoxyphenyl)propionyl]perhydroisoindol-4-ol;(3aS,4S,7aS)-7,7-diphenyl-4-(2-methoxyphenyl)-2-[(S)-2-(2methoxyphenyl)propionyl]perhydroisoindol-4-ol;(3aS,4S,7aS)-7,7-diphenyl-4-(2-methoxyphenyl)-2-[2-(2-methoxyphenyl)-(S)-propionyl]-perhydroisoindol-4-ol;(3aS,4S,7aS)-Hexahydro-2-((alphaS)-o-methoxyhydratropoyl)-4-(o-methoxyphenyl)-7,7-diphenyl-4-isoindolinol;(S)-1-[(3aS,7aS)-4-Hydroxy-4-(2-methoxy-phenyl)-7,7-diphenyl-octahydro-isoindol-2-yl]-2-(2-methoxy-phenyl)-propan-1-one;1-[4-Hydroxy-4-(2-methoxy-phenyl)-7,7-diphenyl-octahydro-isoindol-2-yl]-2-(2-methoxy-phenyl)-propan-1-one;1H-Isoindol-4-ol, octahydro-4-(2-methoxyphenyl)-2-(2-(2-methoxyphenyl)-1-oxopropyl)-7,7-diphenyl-, (3aS-(2(R*),3aalpha,4beta,7aalpha))-

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(2S)-1-[(3aS,4S,7aS)-4-hydroxy-4-(2-methoxyphenyl)-7,7-diphenyl-1,3,3a,5,6,7a-hexahydroisoindol-2-yl]-2-(2-methoxyphenyl)propan-1-one Basic Attributes

Molecular Weight：

561.7 g/mol

Exact Mass：

561.28790873 g/mol

UNII：

NRD5XF638P

Characteristics

PSA：

59 Å²

Drug Information

MeSH Entry Terms：

Dapitant

Computed Properties

Molecular Weight:561.7
XLogP3:6.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:561.28790873
Monoisotopic Mass:561.28790873
Topological Polar Surface Area:59
Heavy Atom Count:42
Complexity:878
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: sodium stearate; teriparatide brand name; phosphorus trichloride; catechol; dimethyl sulfone; dimethyl terephthalate

Guide of (2S)-1-[(3aS,4S,7aS)-4-hydroxy-4-(2-methoxyphenyl)-7,7-diphenyl-1,3,3a,5,6,7a-hexahydroisoindol-2-yl]-2-(2-methoxyphenyl)propan-1-one

Basic Attributes
Characteristics
Drug Information
Computed Properties

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