UCSF

ZINC13118910

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 22 No

Popular Name: Scopolamine hydrobromide Scopolamine hydrobromide

Find On: PubMed — Wikipedia — Google

CAS Numbers: 114-49-8 , 138-12-5 , 51-34-3 , 55-16-3 , 6533-68-2 , 65333-68-2 , [114-49-8] , [51-34-3] , [6533-68-2]

Other Names:

"Scopolamine hydrobromide trihydrate, 99%"

(+)-Hyoscine;(+)-Scopolamine;(-)-Hyoscine;(-)-Hyoscine hydrobromide;(-)-scopolamine;(-)-Scopolamine bromide;(-)-Scopolamine hydrobromide;(1S,3S,5R,6R,7S)-6,7-epoxytropan-3-yl (2S)-3-hydroxy-2-phenylpropanoate;6,7-Epoxytropine Tropate;6-beta,7-beta-Epoxy-3

(-)-hyoscine

(-)-hyoscine cation; (-)-hyoscine(1+); (-)-scopolamine cation; (-)-scopolamine(1+); (1S,3S,5R,6R,7S)-6,7-epoxytropan-3-yl (2S)-3-hydroxy-2-phenylpropanoate(1+); 6,7-epoxytropine tropate(1+); 6-beta,7-beta-epoxy-3-alpha-tropanyl S-(-)-tropate(1+); alpha-(h

(-)-hyoscine; (-)-scopolamine; (1S,3S,5R,6R,7S)-6,7-epoxytropan-3-yl (2S)-3-hydroxy-2-phenylpropanoate; 6,7-Epoxytropine tropate; 6-beta,7-beta-Epoxy-3-alpha-tropanyl S-(-)-tropate; Hyoscine; alpha-(Hydroxymethyl)benzeneacetic acid 9-methyl-3-oxa-9-azatri

(-)-Hyoscine; 51-34-3; C01851; Scopolamine

(-)-scopolamine

(-)-Scopolamine hydrobromide

(-)-Scopolamine hydrobromide trihydrate

(-)-Scopolamine hydrobromide trihydrate; (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; 1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, 6-beta,7-beta-epoxy-, (-)-tropate (ester), hydro

(1R,2R,4S,5R)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl 3-hydroxy-2-phenylpropanoate

51-34-3; beldavrin; hyoscine; hyosol; scopamin; scopolamine

6533-68-2; D02071; Hysco (TN); Isopto hyoscine (TN); Scopolamine hydrobromide (USP); Scopolamine hydrobromide hydrate (JP16); Scopolamine hydrobromide trihydrate

Atrochin

Atroquin

Atroscine Hydrobromide

Beldavrin

Benzeneacetic acid, Alpha-(hydroxymethyl)-, 9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, [7(S)-(1Alpha,2 ,4 ,5Alpha,7 )]- [CAS]; CPD000449327; SAM001246967

Benzeneacetic acid, Alpha-(hydroxymethyl)-, 9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, [7(S)-(1Alpha,2 ,4 ,5Alpha,7 )]- [CAS]; CPD000449327; SAM001246967; Scopolamine Hydrobromide

BRD-K89923877-003-02-4

Buscopan

CHEBI:9056; CHEBI:15066; CHEBI:26610

CPD000449327; Benzeneacetic acid, Alpha-(hydroxymethyl)-, 9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, [7(S)-(1Alpha,2ÿ,4ÿ,5Alpha,7ÿ)]- [CAS]

DNC000757

Epoxytropine Tropate

Euscopol

Hydroscine Hydrobromide

Hyocine F Hydrobromide

Hyosceine

hyoscine

Hyoscine Bromide

Hyoscine Hydrobromide

Hyoscine hydrochloride

Hyoscyine Hydrobromide

Hyosol

Hysco

Isopto Hyoscine

Isoscopil

Kwells

L-Hyoscine Hydrobromide

L-Scopolamine

levo-duboisine

LS-103685

LS-194418

Methscopolamine Bromide

MFCD00012647

MFCD00058096

MFCD00150066

N/A

Oscine

Scop

Scopamin

scopine (−)-tropate

Scopine Tropate

Scopoderm-Tts

Scopolamine

Scopolamine (hydrobromide)

Scopolamine Bromide

Scopolamine Hydrobromide Trihydrate

Scopolamine hydrochloride

Scopolamine Hyoscine

scopolamine(1+)

Scopolaminehydrobromide

Scopolaminhydrobromid

Scopolaminium Bromide

Scopolammonium Bromide

Scopos

SEE

Sereen

Skopolamin

Tranaxine

Transcop

Transderm-Scop

Transderm-V

Triptone

Tropic Acid, Ester with Scopine

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.05 3.41 -8.1 1 5 0 62 303.358 5 ↓
Hi High (pH 8-9.5) 4.03 15.11 -17.74 1 11 0 109 532.649 5 ↓
Mid Mid (pH 6-8) 1.05 5.76 -38.25 2 5 1 63 304.366 5 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 6.61e+00 g/l DrugBank-approved
Purity 95% Fluorochem
Target AChR Selleck Chemicals
Patent Database Links EP1611879; EP1652532; EP1671624; EP1749525; EP1772767; EP1785145; EP1815846; EP1829527; EP1829528; EP1884243; US2001020038; US2003026850; US2004254182; US2006040900; US2006160887; US2007184096; US2007190142; US2007202050; US2007202055; US2007203104; US200 ChEBI
UniProt Database Links HY6H_HYONI ChEBI
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Tocris Cookson Ltd.; NCC_SUPPLIER_STRUCTURE_ID : 101890; 3 water; 1 hydrogen bromide NIH Clinical Collection via PubChem
Target Others Selleck Chemicals
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Tocris Bioscience; SUPPLIER_STRUCTURE_ID: 101890; SALT: 3 water; 1 hydrogen bromide NIH Clinical Collection via PubChem

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Analogs ( Draw Identity 99% 90% 80% 70% )