(-)-Hydrastine
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(-)-Hydrastine
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CAS No:
118-08-1
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Formula:
C21H21NO6
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Chemical Name:
(-)-Hydrastine
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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]-,(3S)-;Hydrastine;1(3H)-Isobenzofuranone,6,7-dimethoxy-3-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-,[S-(R*,S*)]-;1,3-Dioxolo[4,5-g]isoquinoline,1(3H)-isobenzofuranone deriv.;(3S)-6,7-Dimethoxy-3-[(5R)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-1(3H)-isobenzofuranone;β-Hydrastine;(-)-β-Hydrastine;l-Hydrastine;(-)-Hydrastine;(1R,9S)-β-Hydrastine;5988-13-6;26294-47-3;28638-96-2
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CAS No:
Characteristics
66.5
2.81110
1.339±0.06 g/cm3 (20 ºC 760 Torr)
132 °C
510.32°C (rough estimate)
285.7ºC
1.5614 (estimate)
7.83e-05 M
−20°C
D20 -50° (c = 0.3 in abs alc)
Safety Information
III
6.1(b)
1544
3
20/21/22
36
MU6030000
Xn
P261-P280-P301 + P312 + P330
H302 + H312 + H332
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|Aggregated GHS information provided by 39 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:383.4
XLogP3:2.7
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:383.13688739
Monoisotopic Mass:383.13688739
Topological Polar Surface Area:66.5
Heavy Atom Count:28
Complexity:601
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
