 Home > Encyclopedia > (6R,6aS,8R,9S,11S)-5,6a,7,8,9,11-Hexahydro-6,11-methano-6H-1,3-benzodioxolo[5,6-c][1]benzazepine-8,9-diol

(6R,6aS,8R,9S,11S)-5,6a,7,8,9,11-Hexahydro-6,11-methano-6H-1,3-benzodioxolo[5,6-c][1]benzazepine-8,9-diol

(6R,6aS,8R,9S,11S)-5,6a,7,8,9,11-Hexahydro-6,11-methano-6H-1,3-benzodioxolo[5,6-c][1]benzazepine-8,9-diol structure

CAS No:
1354-81-0
Formula:
C16H17NO4
Chemical Name:
(6R,6aS,8R,9S,11S)-5,6a,7,8,9,11-Hexahydro-6,11-methano-6H-1,3-benzodioxolo[5,6-c][1]benzazepine-8,9-diol
Synonyms:
6,11-Methano-6H-1,3-benzodioxolo[5,6-c][1]benzazepine-8,9-diol,5,6a,7,8,9,11-hexahydro-,(6R,6aS,8R,9S,11S)-;Brunsvigine;Pancracine,(3α)-;(6R,6aS,8R,9S,11S)-5,6a,7,8,9,11-Hexahydro-6,11-methano-6H-1,3-benzodioxolo[5,6-c][1]benzazepine-8,9-diol;3-Epipancracine;6,11-Methano-6H-1,3-benzodioxolo[5,6-c][1]benzazepine-8,9-diol,5,6a,7,8,9,11-hexahydro-,[6R-(6α,6aβ,8α,9α,11α)]-;3α-Pancracine;(-)-Brunsvigine
Categories:
Organic Chemistry > Amides

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Description

Brunsvigine is a citraconoyl group.

(6R,6aS,8R,9S,11S)-5,6a,7,8,9,11-Hexahydro-6,11-methano-6H-1,3-benzodioxolo[5,6-c][1]benzazepine-8,9-diol Basic Attributes

Molecular Weight：

287.31048

Exact Mass：

287.31

DSSTox ID：

DTXSID30331596

Characteristics

PSA：

62.2

XLogP3：

Drug Information

MeSH Entry Terms：

brunsvigine

Computed Properties

Molecular Weight:287.31
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Exact Mass:287.11575802
Monoisotopic Mass:287.11575802
Topological Polar Surface Area:62.2
Heavy Atom Count:21
Complexity:481
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (6R,6aS,8R,9S,11S)-5,6a,7,8,9,11-Hexahydro-6,11-methano-6H-1,3-benzodioxolo[5,6-c][1]benzazepine-8,9-diol

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties
Latest News
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(6R,6aS,8R,9S,11S)-5,6a,7,8,9,11-Hexahydro-6,11-methano-6H-1,3-benzodioxolo[5,6-c][1]benzazepine-8,9-diol

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