Scopolamine n-oxide hydrobromide

Catalog Number	ACM6106816-1
CAS Number	6106-81-6
Description	Natural alkaloid
Synonyms	Hyoscine N-oxide hydrobromide;(1R,2R,4S,5S)-9-methyl-9-oxido-3-oxa-9-azatricyclo[3.3.1.0~2,4~]non-7-yl (2S)-3-hydroxy-2-phenylpropanoate hydrobromide;(1S,2R,4S,5S)-9-methyl-9-oxido-3-oxa-9-azatricyclo[3.3.1.0~2,4~]non-7-yl (2S)-3-hydroxy-2-phenylpropanoate hydrobromide(1S,2R,4S,5S)-9-methyl-9-oxido-3-oxa-9-azatricyclo[3.3.1.0~2,4~]non-7-yl 3-hydroxy-2-phenylpropanoate hydrobromide (1:1);1αH,5αH-Tropan-3α-ol, 6β,7β-epoxy-, (-)-tropate (ester), 8-oxide, hydrobromide;3-Oxa-9-azatricyclo[3.3.1.02,4]nonane, benzeneacetic acid deriv.;9-Methyl-9-Oxido-3-Oxa-9-Azatricyclo[3.3.1.0~2,4~]Non-7-Yl 3-Hydroxy-2-Phenylpropanoate;Aminoxyscopolamine hydrobromide;Benzeneacetic acid, α-(hydroxymethyl)-, (1α,2β,4β,5α,7β)-9-methyl-9-oxido-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, hydrobromide (1:1), (αS)-
IUPAC Name	[(1R,2R,4S,5S)-9-methyl-9-oxido-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate;hydrobromide.
Molecular Weight	400.26g/mol
Molecular Formula	C17H21NO5HBr
InChI	InChI=1S/C17H21NO5.BrH/c1-18(21)13-7-11(8-14(18)16-15(13)23-16)22-17(20)12(9-19)10-5-3-2-4-6-10;/h2-6,11-16,19H,7-9H2,1H3;1H/t11?,12-,13-,14+,15-,16+,18?;/m1./s1
InChI Key	MGNNYKWRWHQLCR-RDYQINQZSA-N
Melting Point	135-138°C
Purity	0.98
Appearance	Powder
Storage	Room temperature (15-25°C)
Botanical Origin	Atropa sp., Datura sp.
Complexity	460
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Degree Of Certification	Scopolamine N-oxide hydrobromide reference substance is a primary reference standard with certified absolute purity (considering chromatographic purity, water, residual solvents, inorganic impurities).
EC Number	228-066-8
Exact Mass	399.068g/mol
Formal Charge	0
Hazard Class	6.1
Hazard Excepted Quantities	E1 (Inner packaging: 30, Outer packaging: 1000)
Hazard Limited Quantities	5kg
Hazard Statements	H301+: Toxic if swallowed. P261: Avoid breathing dust, fumes, gas, mist, vapours, spray. [As modified by IV ATP]. P280: Wear protective gloves/protective clothing/eye protection/face protection. P302+P312: IF ON SKIN: Call a POISON CENTER or doctor/physician if you feel unwell. P405: Store locked up. P501: Dispose of contents/container in accordance with local/regional/national/international regulations.
Heavy Atom Count	24
HS Code	29397990
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
MDL Number	MFCD20259674
Monoisotopic Mass	399.068g/mol
Packing Group	III
Rotatable Bond Count	5
Topological Polar Surface Area	77.1A^2.
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
UN Number	1544

Custom Q&A

What is the chemical formula for Scopolamine N-oxide Hydrobromide?

The chemical formula for Scopolamine N-oxide Hydrobromide is C17H22BrNO5.

What are some synonyms for Scopolamine N-oxide Hydrobromide?

Some synonyms for Scopolamine N-oxide Hydrobromide include SCOPOLAMINE AMINOXIDE HBR and SCOPODEX HYDROBROMIDE.

What is the melting point of Scopolamine N-oxide Hydrobromide?

The melting point of Scopolamine N-oxide Hydrobromide is 137°C.

What is the solubility of Scopolamine N-oxide Hydrobromide in DMSO?

Scopolamine N-oxide Hydrobromide is soluble in DMSO at a concentration of 300 mg/mL.

What are the hazard codes associated with Scopolamine N-oxide Hydrobromide?

The hazard code for Scopolamine N-oxide Hydrobromide is T.

What are the risk statements for Scopolamine N-oxide Hydrobromide?

The risk statements for Scopolamine N-oxide Hydrobromide are 23/24/25.

What are the safety statements for Scopolamine N-oxide Hydrobromide?

The safety statements for Scopolamine N-oxide Hydrobromide are 36/37/39-45.

What is the usage of Scopolamine N-oxide Hydrobromide?

Scopolamine N-oxide Hydrobromide is used as an antiparkinsonian and anticholinergic agent.

What is the molecular weight of Scopolamine N-oxide Hydrobromide?

The molecular weight of Scopolamine N-oxide Hydrobromide is 400.26 g/mol.

In what form should Scopolamine N-oxide Hydrobromide be stored?

Scopolamine N-oxide Hydrobromide should be stored at -20°C.

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