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AG00IBHC

6533-68-2 | (1R,2R,4S,5S,7s)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl (S)-3-hydroxy-2-phenylpropanoate hydrobromide trihydrate

Chemical structure of (1R,2R,4S,5S,7s)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl (S)-3-hydroxy-2-phenylpropanoate hydrobromide trihydrate, CAS 6533-68-2
AG00IBHC
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CAS Number 6533-68-2
Catalog Number AG00IBHC(AGN-PC-0TG9XC)
Chemical Name (1R,2R,4S,5S,7s)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl (S)-3-hydroxy-2-phenylpropanoate hydrobromide trihydrate
EC Number 613-776-6
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
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
MDL Number MFCD00012647
Molecular Formula C17H28BrNO7
Molecular Weight 438.3107
SMILES CN1[C@@]2([C@]3([C@]([H])(O3)[C@]1(C[C@@H](OC([C@H](CO)C4=CC=CC=C4)=O)C2)[H])[H])[H].O.Br.O.O
UNII 451IFR0GXB
Synonyms
Boro Scopol, Boro-Scopol, Hyoscine, Isopto Hyoscine, Kwells, Scoburen, Scopace, Scopoderm TTS, Scopolamine, Scopolamine Cooper, Scopolamine Hydrobromide, Transderm Scop, Transderm V, Transderm-V, Travacalm HO, Vorigeno, SCOPOLAMINE HYDROBROMIDE TRIHYDRATE, (-)-Scopolamine hydrobromide trihydrate, Isopto Hyoscine, 6533-68-2, UNII-451IFR0GXB, Hyoscine hydrobromide trihydrate, CCRIS 6099, Scopalamine hydrobromide trihydrate, 451IFR0GXB, scopolammonium bromide trihydrate, CHEBI:61272, MFCD00150066, DSSTox_CID_1258, 6beta,7beta-Epoxy-1alphaH,5alphaH-tropan-3alpha-ol (-)-tropate (ester) hydrobromide trihydrate, DSSTox_RID_76044, DSSTox_GSID_21258, Hysco, 1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, 6-beta,7-beta-epoxy-, (-)-tropate (ester), hydrobromide, trihydrate, 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)-, 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))-, CAS-6533-68-2, Atroscine Hydrobromide, Scopolamine HBr trihydrate, Scopolamine Hydrobromide [USAN], C17H21NO4.BrH.3H2O, NCGC00091923-02, (?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, Scopolamine hydrobromide [USP:JAN], scopolamine-hbr-trihydrate, scopolaminium bromide trihydrate, Atroscine hydrobromide trihydrate, CHEMBL2251240, CHEMBL4065982, DTXSID0021258, Scopolamine hydrobromidetrihydrate, LACQPOBCQQPVIT-SEYKEWMNSA-N, LS-45, ACT04914, Tox21_111179, Tox21_200867, AKOS025311069, NCGC00258421-01, BC650621, OR310495, X4633, 114H498, Scopolamine hydrobromide, meets USP testing specifications, (-)-Scopolamine hydrobromide trihydrate, >=98% (HPLC), powder, SCOPOLAMINE HYDROBROMIDE TRIHYDRATE (SCOPOLAMINE HYDROBROMIDE (114-48-8)), Scopolamine hydrobromide, United States Pharmacopeia (USP) Reference Standard, (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), (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), (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, 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)-, 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)-, Barbidonna, Benacine, Donnagel, Donnatal, Donnazyme, Kinesed, Scopine tropate, Transderm-Scop, Ru-Tuss Tablets, Scopolamine hydrobromide, Mixture Name, Hyoscine hydrobromide, SCOPOLAMINEHYDROBROMIDETRIHYDRATE, Scopolamine hydrobromide tri_hydrate, NA8027, CS-O-05974, C17-H21-N-O4.Br-H.3H2-O, Benzeneacetic acid, .alpha.-(hydroxymethyl)-, (1.alpha.,2.beta.,4.beta.,5.alpha.,7.beta.)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, hydrobromide, trihydrate, (.alpha.S)-, Scopolamine hydrobromide trihydrate, 99%, from Datura metel L. - 1G 1g, 114-49-8, Benzeneacetic acid, .alpha.-(hydroxymethyl)-, 9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, hydrobromide, trihydrate, [7(S)-(1.alpha.,2.beta.,4.beta.,5.alpha.,7.beta.)]-,

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    CERTIFICATE OF ANALYSIS
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    Conclusion: The above product meets the specifications of Angene.
    Analyst:Chase
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    Reviewed by:Jessie
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    Angene International Limited