Scopolamine hydrochloride
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Scopolamine hydrochloride
structure -
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CAS No:
55-16-3
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Formula:
C17H21NO4.ClH
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Chemical Name:
Scopolamine hydrochloride
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Synonyms:
Benzeneacetic acid,α-(hydroxymethyl)-,(1α,2β,4β,5α,7β)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester,hydrochloride (1:1),(αS)-;1αH,5αH-Tropan-3α-ol,6β,7β-epoxy-,(-)-tropate (ester),hydrochloride;Benzeneacetic acid,α-(hydroxymethyl)-,9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester,hydrochloride,[7(S)-(1α,2β,4β,5α,7β)]-;Benzeneacetic acid,α-(hydroxymethyl)-,(1α,2β,4β,5α,7β)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester,hydrochloride,(αS)-;3-Oxa-9-azatricyclo[3.3.1.02,4]nonane,benzeneacetic acid deriv.;Hyoscine hydrochloride;Scopolamine hydrochloride;(-)-Scopolamine hydrochloride
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CAS No:
Characteristics
62.30000
1.65800
white powder
190-192 °C
460.3ºC at 760mmHg
77 °C
H2O: 50 mg/mL
-20°C
Oral-Mouse LD50: 1275 mg/kg; Abdominal cavity-mouse LD50: 104 mg/kg
Flammable, decomposes toxic nitrogen oxides and chloride gases when burned
Safety Information
UN 1544 6.1/PG 3
3
26/27/28
25-45-36/37-28
CY1634501
T+
Warehouse low temperature, ventilated, dry
P260-P264-P280-P284-P301 + P310-P302 + P350
H300 + H310 + H330
|Danger|H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]|P260, P262, P264, P270, P271, P280, P284, P301+P310, P302+P350, P304+P340, P310, P320, P321, P322, P330, P361, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:339.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:339.1237359
Monoisotopic Mass:339.1237359
Topological Polar Surface Area:62.3
Heavy Atom Count:23
Complexity:418
Undefined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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