UCSF

ZINC00000056

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 21 Yes

Popular Name: Hyoscyamine Hyoscyamine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 101-31-5 , 306-03-6 , 51-55-8 , 5908-99-6 , 5934-50-9 , 620-61-1 , 6835-16-1 , 73791-47-6

Other Names:

"Atropine sulfate monohydrate, 98.5%"

(+,-)-tropyl tropate; (+-)-atropine; (+-)-hyoscyamine; (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 3-hydroxy-2-phenylpropanoate; (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl tropate; 8-methyl-8-azabicyclo[3.2.1]oct-3-yl 3-hydroxy-2-phenylpropanoate; 8-

(+,-)-tropyl tropate; (+-)-atropine; (+-)-hyoscyamine; (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl tropate; 8-methyl-8-azabicyclo[3.2.1]oct-3-yl 3-hydroxy-2-phenylpropanoate; 8-methyl-8-azabicyclo[3.2.1]oct-3-yl tropate; Atropin; [(1S,5R)-8-methyl-8-aza

(+,-)-Tropyl tropate; (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl (2S)-3-hydroxy-2-phenylpropanoate; (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 3-hydroxy-2-phenylpropanoate; 1-alpha-H,5-alpha-H-Tropan-3-alpha-ol (+-)-tropate (ester); 1alphaH,5alphaH-

(-)-Atropine; (-)-Hyoscyamine; (S)-(-)-Hyoscyamine; (S)-Atropine; 1-Hyoscyamine; 1alphaH,5alphaH-Tropan-3alpha-ol (-)-tropate (ester); Atropine, 3(S)-endo-Isomer; Benzeneacetic acid, alpha-(hydroxymethyl)-, (3-endo)-8-methyl-8-azabicyclo(3.2.1)oct-3-yl es

(-)-Hyoscyamine

(2S)-(1R,5S)-8-Methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate

(−)-atropine

(−)-hyoscyamine

(leo)-atropine;(leo)-hyoscyamine;(S)-(leo)-hyoscyamine;(S)atropine;Daturine;Duboisine;Hyocyamine;L-Atropine;L-Hyopscyamine;L-Hyoscamine;L-Hyoscyamine;L-Tropine Tropate

(S)-(−)-hyoscyamine

(S)-atropine

trop-

1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, (-)-tropate (ester), sulfate (2:1); Benzeneacetic acid, alpha-(hydroxymethyl)-, (3-endo)-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, (alphaS)-, sulfate (2:1) (salt); Benzeneacetic acid, alpha-(hydroxymethyl)-, 8-meth

101-31-5; C02046; Daturine; Duboisine; L-Hyoscyamine; L-Tropine tropate

101-31-5; L-hyoscyamine; L-tropine tropate; daturine; duboisine

2C17H23NO3.C10H16NO.Cl.H2O.H2O4S; ATROPINE SULFATE; EDROPHONIUM CHLORIDE; ENLON-PLUS; LS-178546

306-03-6; D04479; Hyoscyamine hydrobromide (USP)

5908-99-6; Atropine sulfate (JP16/USP); D02069; Isopto Atropine (TN)

5908-99-6; Atropine sulfate monohydrate; Prestwick_960

703

Anaspaz

ATNAA; ATROPINE; LS-187855; PRALIDOXIME CHLORIDE

Atropine

Atropine (BAN

Atropine (sulfate monohydrate)

ATROPINE SULFATE

Atropine sulfate monohydrate

atropine; atropinium cation; atropinium(1+)

ATROPINE; CPD001906768; SAM002554885

atropinium

benzeneacetic acid, a-(hydroxymethyl)-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, sulfate, hydrate (2:1:1) (salt)

BRD-A78303415-001-02-7

Buwecon

CHEBI:2917; CHEBI:13866; CHEBI:22674; CHEBI:24754

Cystospaz

Daturine

DNC000758

Donnamar

Duboisine

Duretter

Egacene

Egazil

endo-8-Methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate sulfate dihydrate(2:1:2)

FDA

Gastrosed

Hyocyamine

Hyoscyamine (BAN

Hyoscyamine (L)

HYOSCYAMINE HYDROBROMIDE

Hyoscyamine hydrochloride

HYOSCYAMINE SULFATE

JAN

L-Atropine

L-Hyopscyamine

L-Hyoscamine

L-Hyoscyamine

L-HYOSCYAMINE HEMISULFATE SALT

L-Hyoscyamine [101-31-5]; (L-Tropine tropate)

L-HYOSCYAMINE; [101-31-5]

L-Tropine Tropate

Levbid

Levsin

Levsinex

LS-24721

MFCD00022622

MFCD00067306

MFCD00074815

MFCD00161494

MFCD00270394

N/A

Neoquess

NuLev

OIN

Peptard

Scopolia Extract

Symax

Tropine

USP); Atropine Sulfate (FDA

USP); Atropine Sulphate (BAN)

USP); Hyoscyamine Sulfate (USP); Hyoscyamine Sulphate (BAN); Hyoscyamine Hydrobromide (USP)

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) 1.77 -0.01 -37.55 2 4 1 50 290.383 5 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 7.398 Bitter DB
MP 108,5°C Indofine
ALOGPS_SOLUBILITY 2.52e+00 g/l DrugBank-approved
Purity 95% Fluorochem
UniProt Database Links ACH10_HUMAN; ACH10_RAT; ACHA9_HUMAN; ACHA9_RAT; CXAG_NAJAT; GNAT3_BOVIN; HY6H_HYONI; S22A1_BOVIN; S22A1_HUMAN; S22A1_MOUSE; S22A1_PIG; S22A1_RABIT; S22A1_RAT; TPES_PSEPU ChEBI
UniProt Database Links ACH10_HUMAN; ACH10_RAT; ACHA9_HUMAN; ACHA9_RAT; CXAG_NAJAT; GNAT3_BOVIN; S22A1_BOVIN; S22A1_HUMAN; S22A1_MOUSE; S22A1_PIG; S22A1_RABIT; S22A1_RAT; TPES_PSEPU ChEBI
Target AChR Selleck Chemicals
Therapy anticholinergic, analgesic SMDC Pharmakon
PUBCHEM_PATENT_ID EP0339272A2; US4870174; US4874850; US4877883; US4894454; US4933889; US4965357; US4996646; US4999435; US5045530; US5051435; US5057518; US5110929; US5112844; US5118808; US5133973; US5143917; US5166887; US5170360; US5185705; US5440344; US5454046; US5460821 IBM Patent Data
Patent Database Links EP1520582; EP1535615; EP1579874; EP1652532; EP1685843; EP1731140; EP1785145; EP1787639; EP1815845; EP1815846; EP1829527; EP1829528; EP1884243; EP1930009; EP1941901; US2003026850; US2003054028; US2003236298; US2004224924; US2004254182; US2005152846; US2005 ChEBI
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : A-5643; NCC_SUPPLIER_SAMPLE_COMMENTS : WHITE POWDER NIH Clinical Collection via PubChem
Target Others Selleck Chemicals
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: A-5643; SUPPLIER_COMMENTS: WHITE POWDER NIH Clinical Collection via PubChem
PUBCHEM_PATENT_ID US4988691 IBM Patent Data

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