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1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-[(5R)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-, hydrochloride (1:1), (3S)-

1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-[(5R)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-, hydrochloride (1:1), (3S)- structure

CAS No:
5936-28-7
Formula:
C21H21NO6.ClH
Chemical Name:
1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-[(5R)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-, hydrochloride (1:1), (3S)-
Synonyms:
1(3H)-Isobenzofuranone,6,7-dimethoxy-3-[(5R)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-,hydrochloride (1:1),(3S)-;Hydrastine,hydrochloride;1(3H)-Isobenzofuranone,6,7-dimethoxy-3-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-,hydrochloride,[S-(R*,S*)]-;1(3H)-Isobenzofuranone,6,7-dimethoxy-3-[(5R)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-,hydrochloride,(3S)-;1,3-Dioxolo[4,5-g]isoquinoline,1(3H)-isobenzofuranone deriv.;β-Hydrastine hydrochloride;(1R,9S)-β-Hydrastine hydrochloride
Categories:
Natural Products > Alkaloids

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1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-[(5R)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-, hydrochloride (1:1), (3S)- Basic Attributes

Molecular Weight：

419.86

Exact Mass：

419.11400

EC Number：

227-692-9

UNII：

562PDC2I9K

Characteristics

PSA：

66.46000

XLogP3：

3.61310

Melting Point：

115°C

Boiling Point：

548.8ºC at 760 mmHg

Flash Point：

285.7ºC

Storage Conditions：

−20°C

Specific rotation：

D17 +127° (c = 4 in dil HCl)

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

1544

hazard class code：

safety instructions：

RTECS Number：

MU6125000

Marks：

Computed Properties

Molecular Weight:419.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:419.1135651
Monoisotopic Mass:419.1135651
Topological Polar Surface Area:66.5
Heavy Atom Count:29
Complexity:601
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of 1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-[(5R)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-, hydrochloride (1:1), (3S)-

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

1(3H)-Isobenzofuranone, 6,7-dimethoxy-3-[(5R)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-, hydrochloride (1:1), (3S)-

SDS

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