Benzeneacetic acid, a-(hydroxymethyl)-,(1a,2b,4b,5a,7b)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester,hydrobromide, trihydrate, (aS)-

Catalog Number	ACM6533682
CAS Number	6533-68-2
Synonyms	[u'Boro Scopol', u'Boro-Scopol', u'Hyoscine', u'Isopto Hyoscine', u'Kwells', u'Scoburen', u'Scopace', u'Scopoderm TTS', u'Scopolamine', u'Scopolamine Cooper', u'Scopolamine Hydrobromide', u'Transderm Scop', u'Transderm V', u'Transderm-V', u'Travacalm HO', u'Vorigeno', u'SCOPOLAMINE HYDROBROMIDE TRIHYDRATE', u'(-)-Scopolamine hydrobromide trihydrate', u'Isopto Hyoscine', u'6533-68-2', u'UNII-451IFR0GXB', u'Hyoscine hydrobromide trihydrate', u'CCRIS 6099', u'Scopalamine hydrobromide trihydrate', u'451IFR0GXB', u'scopolammonium bromide trihydrate', u'CHEBI:61272', u'MFCD00150066', u'DSSTox_CID_1258', u'6beta,7beta-Epoxy-1alphaH,5alphaH-tropan-3alpha-ol (-)-tropate (ester) hydrobromide trihydrate', u'DSSTox_RID_76044', u'DSSTox_GSID_21258', u'Hysco', u'1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, 6-beta,7-beta-epoxy-, (-)-tropate (ester), hydrobromide, trihydrate', u'Benzeneacetic acid, alpha-(hydroxymethyl)-, (1alpha,2beta,4beta,5alpha,7beta)-9-methyl-3-oxa-9-azatricyclo(3.3.1.0(sup 2,4))non-7-yl ester, hydrobromide, trihydrate, (alphaS)-', u'Benzeneacetic acid, alpha-(hydroxymethyl)-, 9-methyl-3-oxa-9-azatricyclo(3.3.1.0(sup 2,4))non-7-yl ester, hydrobromide, trihydrate, (7(S)-(1alpha,2beta,4beta,5alpha,7beta))-', u'CAS-6533-68-2', u'Atroscine Hydrobromide', u'Scopolamine HBr trihydrate', u'Scopolamine Hydrobromide [USAN]', u'C17H21NO4.BrH.3H2O', u'NCGC00091923-02', u'(?S)-?-(Hydroxymethyl)benzeneacetic acid (1?,2?,4?,5?,7?)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester hydrobromide trihydrate', u'Scopolamine hydrobromide [USP:JAN]', u'scopolamine-hbr-trihydrate', u'scopolaminium bromide trihydrate', u'Atroscine hydrobromide trihydrate', u'CHEMBL2251240', u'CHEMBL4065982', u'DTXSID0021258', u'Scopolamine hydrobromidetrihydrate', u'LACQPOBCQQPVIT-SEYKEWMNSA-N', u'LS-45', u'ACT04914', u'Tox21_111179', u'Tox21_200867', u'AKOS025311069', u'NCGC00258421-01', u'BC650621', u'OR310495', u'X4633', u'114H498', u'Scopolamine hydrobromide, meets USP testing specifications', u'(-)-Scopolamine hydrobromide trihydrate, >=98% (HPLC), powder', u'SCOPOLAMINE HYDROBROMIDE TRIHYDRATE (SCOPOLAMINE HYDROBROMIDE (114-48-8))', u'Scopolamine hydrobromide, United States Pharmacopeia (USP) Reference Standard', u'(1R,2R,4S,5S,7s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0(2,4)]non-7-yl (2S)-3-hydroxy-2-phenylpropanoate hydrobromide--water (1/3)', u'(1R,2R,4S,5S,7s,9s)-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.0(2,4)]nonane bromide--water (1/3)', u'(1S,2R,4S,5S,7R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]non-7-yl (2S)-3-hydroxy-2-phenylpropanoate hydrobromide trihydrate', u'Benzeneacetic acid, alpha-(hydroxymethyl)-, (1alpha,2beta,4beta,5alpha,7beta)-9-methyl-3-oxa-9-azatricyclo(3.3.1.02,4)non-7-yl ester, hydrobromide, trihydrate, (alphaS)-', u'Benzeneacetic acid, alpha-(hydroxymethyl)-,(1alpha,2beta,4beta,5alpha,7beta)-9-methyl-3-oxa-9-azatricyclo(3.3.1.0(sup 2,4))non-7-yl ester, hydrobromide, trihydrate, (alphaS)-'](1R,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]non-7-yl (2S)-3-hydroxy-2-phenylpropanoate hydrobromide trihydrate(1S,2R,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]non-7-yl (2S)-3-hydroxy-2-phenylpropanoatato hydrobromide trihydrate(1S,2R,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]non-7-yl 3-hydroxy-2-phenylpropanoate hydrobromide trihydrate3-Oxa-9-azatricyclo[3.3.1.02,4]nonane, benzeneacetic acid deriv.9-Methyl-3-Oxa-9-Azatricyclo[3.3.1.0~2,4~]Non-7-Yl 3-Hydroxy-2-PhenylpropanoateAtroscine hydrobromide trihydrateBenzeneacetic acid, α-(hydroxymethyl)-, (1α,2β,4β,5α,7β)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, hydrobromide, hydrate (1:1:3), (αS)-Benzeneacetic acid, α-(hydroxymethyl)-, (1α,2β,4β,5α,7β)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, hydrobromide, trihydrate, (αS)-
IUPAC Name	[(1R,2R,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate;trihydrate;hydrobromide.
Molecular Weight	438.3107g/mol
Molecular Formula	C17H28BrNO7
InChI	InChI=1S/C17H21NO4.BrH.3H2O/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10;;;;/h2-6,11-16,19H,7-9H2,1H3;1H;3*1H2/t11?,12-,13-,14+,15-,16+;;;;/m1..../s1
InChI Key	LACQPOBCQQPVIT-CQPQIMGBSA-N
Boiling Point	460.3°C at 760mmHg
Melting Point	197-194°C
Purity	0.99
Appearance	Solid
Storage	2~8°C
Complexity	418
Covalently-Bonded Unit Count	5
Defined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
EC Number	613-776-6
Exact Mass	437.105g/mol
Formal Charge	0
Hazard Class	6.1
Hazard Excepted Quantities	E4 (Inner packaging: 1, Outer packaging: 500)
Hazard Limited Quantities	500g
Hazard Statements	H300: Fatal if swallowed. H300+H310+H330: Fatal if swallowed. Fatal in contact with skin. Fatal if inhaled. H310: Fatal in contact with skin. H330: Fatal if inhaled. P260: Do not breathe dust, fumes, gas, mist, vapours, spray. P262: Do not get in eyes, on skin, or on clothing. P264: Wash thoroughly after handling. P280: Wear protective gloves/protective clothing/eye protection/face protection. P284: [In case of inadequate ventilation] wear respiratory protection. [As modified by IV ATP]. P302+P350: [Deleted by IV ATP].
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
MDL Number	MFCD00012647
Monoisotopic Mass	437.105g/mol
Packing Group	II
Rotatable Bond Count	5
Topological Polar Surface Area	65.3A^2.
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
UN Number	1544

Custom Q&A

What is the chemical name of the compound Scopolamine Hydrobromide Trihydrate?

The chemical name is Benzeneacetic acid, a-(hydroxymethyl)-,(1a,2b,4b,5a,7b)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, hydrobromide, trihydrate, (aS)-.

What is the CAS number of Scopolamine Hydrobromide Trihydrate?

The CAS number is 6533-68-2.

What is the molecular formula of Scopolamine Hydrobromide Trihydrate?

The molecular formula is C17H24BrNO5.

What is the melting point of Scopolamine Hydrobromide Trihydrate?

The melting point is 197-194 °C.

What is the solubility of Scopolamine Hydrobromide Trihydrate in water?

It is soluble at 50mg/mL in water.

What is the color of Scopolamine Hydrobromide Trihydrate?

The color is white to off-white.

What are the safety hazard codes associated with Scopolamine Hydrobromide Trihydrate?

The hazard codes are T+.

How is Scopolamine Hydrobromide Trihydrate stored?

It is stored in a Poison room.

What is the usage of Scopolamine Hydrobromide Trihydrate?

It is used as a bronchodilator for the maintenance treatment of chronic obstructive pulmonary disease and other conditions.

What is the mode of action of Scopolamine Hydrobromide Trihydrate?

It competitively inhibits muscarinic receptors and acts as a muscarinic antagonist, producing various effects in the body.

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