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(α1S)-3,4-Dimethoxy-α1-[(5R)-5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-1,2-benzenedimethanol

(α1S)-3,4-Dimethoxy-α1-[(5R)-5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-1,2-benzenedimethanol structure

CAS No:
23942-99-6
Formula:
C22H27NO7
Chemical Name:
(α1S)-3,4-Dimethoxy-α1-[(5R)-5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-1,2-benzenedimethanol
Synonyms:
1,2-Benzenedimethanol,3,4-dimethoxy-α1-[(5R)-5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-,(α1S)-;α-Narcotinediol;1,2-Benzenedimethanol,3,4-dimethoxy-α1-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-,[S-(R*,S*)]-;1,3-Dioxolo[4,5-g]isoquinoline,1,2-benzenedimethanol deriv.;(α1S)-3,4-Dimethoxy-α1-[(5R)-5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-1,2-benzenedimethanol;Narcotinediol;(-)-α-Narcotinediol;(-)-Narcotinediol;NSC 132826;NSC 279531

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(α1S)-3,4-Dimethoxy-α1-[(5R)-5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-1,2-benzenedimethanol Basic Attributes

Molecular Weight：

417.45

Exact Mass：

417.45

EC Number：

2459467

NSC Number：

132826|279531

Characteristics

PSA：

89.85000

XLogP3：

2.13390

Density：

1.300±0.06 g/cm3

Melting Point：

130-132 °C @ Solvent: Ethyl acetate, Diethyl ether

Boiling Point：

570.3±50.0 °C(Predicted)

Flash Point：

298.7ºC

Refractive Index：

1.601

Vapor Pressure：

7.61E-14mmHg at 25°C

PKA：

13.25±0.20

Drug Information

MeSH Entry Terms：

alpha-narcotinediol

(α1S)-3,4-Dimethoxy-α1-[(5R)-5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-1,2-benzenedimethanol Use and Manufacturing

(-)-α-Narcotinediol is a Narcotine derivative, a noscapinoid class of microtubule binding compounds that alter microtubule dynamics without affecting tubulin polymer mass. Noscapinoids show great promise as chemotherapeutic agents for the treatment of human cancers. Unlike Narcotine, (-)-α-Narcotinediol deos not inhibit small-intestinal transport in rats.

Computed Properties

Molecular Weight:417.5
XLogP3:1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:417.17875220
Monoisotopic Mass:417.17875220
Topological Polar Surface Area:89.8
Heavy Atom Count:30
Complexity:566
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (α1S)-3,4-Dimethoxy-α1-[(5R)-5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-1,2-benzenedimethanol

Basic Attributes
Characteristics
Drug Information
Use and Manufacturing
Computed Properties

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