UCSF

ZINC12358661

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 21 Yes

Popular Name: Atropine sulfate Atropine sulfate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 101-31-5 , 306-03-6 , 51-55-8 , 51-55-8, 5908-99-6 , 51-55-8, 5908-99-6 [atropine sulfate], 55-48-1 [anhydrous] , 55-48-1 , 5908-99-6 , 5934-50-9 , 620-61-1 , 73791-47-6 , [306-03-6] , [55-48-1]

Other Names:

"Atropine sulfate monohydrate, 98.5%"

(+)-atropine; (+)-hyoscyamine

(+)-Atropine; (+)-Hyoscyamine; BRN 0091258; Benzeneacetic acid, alpha-(hydroxymethyl)-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, (3(R)-endo)-; HSDB 3553; Hyoscyamine (D)-; LS-77527; R-(+)-Hyoscyamine

(+)-Hyoscyamine sulfate; 1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, (+)-tropate (ester), sulfate (2:1) (salt); Benzeneacetic acid, alpha-(hydroxymethyl)-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, (3(R)-endo)-, sulfate (2:1) (salt); LS-158069

(+,-)-Tropyl tropate

(+,-)-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

(+/-)-Atropine

(+/-)-Hyoscyamine

(-)-hyoscyamine

(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

(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl tropate

(3-endo)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol

(3-endo,8-syn)-3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8-methyl-8-azoniabicyclo[3.2.1]octane

(3-exo)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol

(R)-atropine

pin(e)

trop-

1-alpha-H,5-alpha-H-Tropan-3-alpha-ol (+-)-tropate (ester)

1-alpha-H,5-alpha-H-Tropan-3-alpha-ol (+-)-tropate (ester) (8CI)

120-29-6

1alphaH,5alphaH-Tropan-3alpha-ol

1alphaH,5alphaH-Tropan-3alpha-ol (+-)-tropate (ester)

1alphaH,5alphaH-Tropan-3beta-ol

2-Phenylhydracrylic acid 3-alpha-tropanyl ester

2C17H23NO3.C15H21NO2.HCl.H2O4S; ATROPINE AND DEMEROL; ATROPINE SULFATE; MEPERIDINE HYDROCHLORIDE; LS-178478; MEPERIDINE AND ATROPINE SULFATE

51-55-8

51-55-8; Atropine; C01479; dl-Hyoscyamine

51-55-8; atropine; d1-hyoscyamine

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

5908-99-6; Atropine sulfate monohydrate; Prestwick_960

703

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

8-Methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropionate

a-Tropine

A0132_SIGMA

A2468_SIGMA

AC1L5AX3

AC1Q3XL2

ACon1_000046

AI3-60219

AKOS005137976

Ambap120-29-6

Anaspaz

Atnaa

ATNAA; ATROPINE; LS-187855; PRALIDOXIME CHLORIDE

Atropair

Atropen

Atropen (TN)

Atropin

Atropin [German]

Atropin [German];Atropina [Italian];Atropine Sulfate;DL-Hyoscyamine;DL-Tropyl tropate;Tropine tropate

Atropin-flexiolen

Atropina

Atropina [Italian]

Atropine

Atropine (BAN

Atropine (sulfate monohydrate)

Atropine (USP)

Atropine Care

Atropine sulfate anhydrous

Atropine Sulfate Ansyr Plastic Syringe

Atropine sulfate monohydrate

Atropine sulfate monohydrate, 97+%

Atropine sulfate monohydrate, 98+%

Atropine sulfate monohydrate, 98.5%

Atropine Sulfate S.O.P.

Atropine Sulfate [5908-99-6]

ATROPINE SULFATE; [5908-99-6]

Atropine sulphate

Atropine [BAN]

atropine; atropinium cation; atropinium(1+)

ATROPINE; CPD001906768; SAM002554885

atropinium

atropinium cation

atropinium(1+)

Atropinol

Atropisol

Atropt

Atrosulf

b eta-(Hydroxymethyl)benzeneacetic acid 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester

Belladenal

Bellergal-S

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

Benzeneacetic acid, alpha-(hydroxymethyl)- 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester endo-(+-)-

Benzeneacetic acid, alpha-(hydroxymethyl)-, (3-endo)-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester

Benzeneacetic acid, alpha-(hydroxymethyl)-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, endo-(+-)-

Benzeneacetic acid, alpha-(hydroxymethyl)-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, endo-(+/-)-

Benzeneacetic acid, alpha-(hydroxymethyl)-8-methyl-8-azabicyclo(3,2,1)oct-3-yl ester, endo-(+-)-

Benzeneacetic acid, alpha-(hydroxymethyl)-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, endo-(+-)-

Benzeneacetic acid, alpha-(hydroxymethyl)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester endo-(+-)-

beta-Phenyl-gamma-oxypropionsaeure-tropyl-ester [German]

beta-Phenyl-gamma-oxypropionsaure-tropyl-ester [German]

bmse000649

BRD-A27290375-001-01-8

C01479

C17H23NO3

CAS-120-29-6

CCRIS 3080

CHEBI:15742

CHEBI:15884

CHEBI:16684

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

CHEBI:537621

CHEBI:57858

CHEMBL1235490

CID174174

CPD001906768

Cytospaz

D00113

d1-hyoscyamine

DAP000377

DB00572

DB04026

DL-Hyoscyamine

DL-Tropanyl 2-hydroxy-1-phenylpropionate

DL-Tropyl tropate

dl-Tropyltropate

EINECS 200-104-8

endo-(+/-)-alpha-(Hydroxymethyl)benzeneacetic acid 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester

endo-8-methyl-8-azabicyclo[3.2.1]octan-3-ol

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

Equipin

Eyesules

FDA

FT-0082634

HMS2089A16

Homapin-10

Homapin-5

HSDB 2199

hyoscyamine

Hyoscyamine hydrobromide

Hyoscyamine Hydrochloride

Hyoscyamine sulfate

hyoscyaminehydrobromide

hyoscyaminehydrochloride

I-Tropine

Isopto Atropine

Isopto-atropine

JAN

L-HYOSCYAMINE HEMISULFATE SALT

LS-24721

LS-7203

MEGxp0_001878

MFCD00022622

MFCD00067306

MFCD00074815

MFCD00077268

Minims

Minims Atropine

MLS000069795

MLS001148094

MLS002695888

MolPort-001-742-593

MolPort-003-986-158

N/A

NCGC00016370-01

NCGC00142514-01

NCGC00142514-03

nchembio.307-comp21

Neo-Diophen

NP-010662

Ocu-Tropine

OR22908

Protamine & Atropine

SAM002554885

SMR000058248

ST057178

ST057655

T0534

TL8000018

tropan-3alpha-ol

tropan-3alpha-yl 3-hydroxy-2-phenylpropanoate

tropan-3beta-ol

Tropanol

Tropic acid, 3-alpha-tropanyl ester

Tropic acid, ester with tropine

Tropine

Tropine (+/-)-tropate

Tropine tropate

Tropine, tropate (ester)

Troyl tropate

Urised

USP); Atropine Sulfate (FDA

USP); Atropine Sulfate (JAN

USP); Atropine Sulphate (BAN)

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

[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl] 3-hydroxy-2-phenyl-propanoate

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 7.08 -39.97 2 4 1 51 290.383 5 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 7.398 Bitter DB
MP 108 TCI
MP 116 TCI
Melting_Point 187-192? Alfa-Aesar
Melting_Point 187-192° Alfa-Aesar
MP 189-192 °C (A)(lit.) Indofine
MP 194 TCI
ALOGPS_SOLUBILITY 2.52e+00 g/l DrugBank-approved
Mp [°C] >187 Acros Organics
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
therap anticholinergic, mydriatic MicroSource Spectrum
PUBCHEM_PATENT_ID EP0009046A1; EP0023378A1; EP0046685A1; EP0051354A2; EP0052917A2; EP0073645A2; EP0078839A1; EP0078841A1; EP0082921A1; EP0094080A2; EP0100424A2; EP0102564A2; EP0105361A1; EP0126430A2; EP0126430B1; EP0126684A2; EP0126684B1; EP0129906A1; EP0137811A1; EP013962 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
H phrase H335: May cause respiratory irritation Acros Organics
H phrase H335: May cause respiratory irritation; H300: Fatal if swallowed; H315: Causes skin irritation; H330: Fatal if inhaled; H317: May cause an allergic skin reaction; H319: Causes serious eye irritation Acros Organics
Target Keratinocyte growth factor(P21781)&Fibroblast growth factor 10(O15520)&Fibroblast growth factor receptor 2(P21802)&Nitric oxide synthase, inducible(P35228)&Nitric oxide synthase, endothelial(P29474)&Integrin alpha-M(P11215)&Granulocyte colony-stimulating Herbal Ingredients Targets
Therapy Muscarinic acetylcholine receptor antagonist SMDC Iconix
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
P phrase P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician Acros Organics
P phrase P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P310: Immediately call a POISON CENTER or doctor/physician; P280: Wear eye protection/face protection; P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in Acros Organics
R phrase R26/28: Very toxic by inhalation and if swallowed. Acros Organics
R phrase R26/28: Very toxic by inhalation and if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin.; R43: May cause sensitisation by skin contact. Acros Organics
S phrase S1: Keep locked up. Acros Organics
S phrase S1: Keep locked up.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if you feel unwell, seek me Acros Organics
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: A-5643; SUPPLIER_COMMENTS: WHITE POWDER NIH Clinical Collection via PubChem
Hazard T+: Very toxic Acros Organics
PUBCHEM_PATENT_ID US4988691 IBM Patent Data

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