 Home > Encyclopedia > (5bR,13bR,15S)-5b,6,7,8,13b,15-Hexahydro-15-methoxy-6-methyl[1,3]dioxolo[4,5-h]-1,3-dioxolo[7,8][2]benzopyrano[3,4-a][3]benzazepine

(5bR,13bR,15S)-5b,6,7,8,13b,15-Hexahydro-15-methoxy-6-methyl[1,3]dioxolo[4,5-h]-1,3-dioxolo[7,8][2]benzopyrano[3,4-a][3]benzazepine

(5bR,13bR,15S)-5b,6,7,8,13b,15-Hexahydro-15-methoxy-6-methyl[1,3]dioxolo[4,5-h]-1,3-dioxolo[7,8][2]benzopyrano[3,4-a][3]benzazepine structure

CAS No:
2718-25-4
Formula:
C21H21NO6
Chemical Name:
(5bR,13bR,15S)-5b,6,7,8,13b,15-Hexahydro-15-methoxy-6-methyl[1,3]dioxolo[4,5-h]-1,3-dioxolo[7,8][2]benzopyrano[3,4-a][3]benzazepine
Synonyms:
[1,3]Dioxolo[4,5-h]-1,3-dioxolo[7,8][2]benzopyrano[3,4-a][3]benzazepine,5b,6,7,8,13b,15-hexahydro-15-methoxy-6-methyl-,(5bR,13bR,15S)-;Rheadine;Rhoeadine;Rheadan,8-methoxy-16-methyl-2,3:10,11-bis[methylenebis(oxy)]-,(8β)-;(5bR,13bR,15S)-5b,6,7,8,13b,15-Hexahydro-15-methoxy-6-methyl[1,3]dioxolo[4,5-h]-1,3-dioxolo[7,8][2]benzopyrano[3,4-a][3]benzazepine;Rhoeadin;[1,3]Dioxolo[4,5-h]-1,3-dioxolo[7,8][2]benzopyrano[3,4-a][3]benzazepine,5b,6,7,8,13b,15-hexahydro-15-methoxy-6-methyl-,[5bR-(5bα,13bα,15α)]-;17948-34-4
Categories:
Natural Products > Alkaloids

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Description

Rhoeadine is an alkaloid.

(5bR,13bR,15S)-5b,6,7,8,13b,15-Hexahydro-15-methoxy-6-methyl[1,3]dioxolo[4,5-h]-1,3-dioxolo[7,8][2]benzopyrano[3,4-a][3]benzazepine Basic Attributes

Molecular Weight：

383.39

Exact Mass：

383.39

UNII：

9Q9C65WH3B

DSSTox ID：

DTXSID10181652

Characteristics

PSA：

58.6

XLogP3：

3.02740

Density：

1.45g/cm3

Melting Point：

256-257.5 °C

Boiling Point：

489.3ºC at 760 mmHg

Flash Point：

142.9ºC

Refractive Index：

1.674

Water Solubility：

832.6mg/L(25 ºC)

Specific rotation：

D23 +235° (c = 1.01 in chloroform); D22 +174° (c = 0.69 in pyridine)

Drug Information

MeSH Entry Terms：

rhoeadine

(5bR,13bR,15S)-5b,6,7,8,13b,15-Hexahydro-15-methoxy-6-methyl[1,3]dioxolo[4,5-h]-1,3-dioxolo[7,8][2]benzopyrano[3,4-a][3]benzazepine Use and Manufacturing

An isoquinoline alkaloid used in the therapeutic field particularly for the prevention and the treatment of pathologies implying a central and/or peripheral disorder.

Computed Properties

Molecular Weight:383.4
XLogP3:2.4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:1
Exact Mass:383.13688739
Monoisotopic Mass:383.13688739
Topological Polar Surface Area:58.6
Heavy Atom Count:28
Complexity:591
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (5bR,13bR,15S)-5b,6,7,8,13b,15-Hexahydro-15-methoxy-6-methyl[1,3]dioxolo[4,5-h]-1,3-dioxolo[7,8][2]benzopyrano[3,4-a][3]benzazepine

Description
Basic Attributes
Characteristics
Drug Information
Use and Manufacturing
Computed Properties
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(5bR,13bR,15S)-5b,6,7,8,13b,15-Hexahydro-15-methoxy-6-methyl[1,3]dioxolo[4,5-h]-1,3-dioxolo[7,8][2]benzopyrano[3,4-a][3]benzazepine

SDS

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