Atropine | CAS No. 51-55-8

Atropine

Basic Information

CAS Number

51-55-8

Molecular Formula

C17H23NO3

Molecular Weight

289.38 g/mol

AD

Basic Physical Properties

Melting Point

115-118?°C

Boiling Point

429.8°C at 760 mmHg

Flash Point

213.7°C

Solubility

H2O: 2 mg/mL

Refractive Index

1.581

Vapor Pressure

0mmHg at 25°C

CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3

InChI

InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?

InChIKey

RKUNBYITZUJHSG-SPUOUPEWSA-N

LogP

1.9308999999999998

pKa

9.7(at 21℃)

Topological Polar Surface Area

49.77 Ų

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

353

Safety Information

View Safety Information

Hazard Statement

Hazard Class

Class 6.1 Class 6.1

Toxicity

LD50 orally in rats: 750 mg/kg (Cahen, Tvede)

Synonyms & References

English

  • Anaspaz (TN)
  • 8-Methyl-8-azabicyclo[3.2.1]oct-3-yl tropate
  • Cystospaz (TN)
  • BDBM200229
  • (+-)-hyoscyamine
  • MLS000069795
  • OR22908
  • Belladenal
  • ATROPINE [MART.]
  • Atropinum
  • ACon1_000046
  • Protamine & Atropine
  • L-Hyoscyamine
  • Benzeneacetic acid, alpha-(hydroxymethyl)-, (3-endo)-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester
  • Atropine, >=95.0% (NT)
  • Donnamar (TN)
  • ATROPINE, (+/-)-
  • (3-endo,8-syn)-3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8-methyl-8-azoniabicyclo[3.2.1]octane
  • ATROPINE
  • AB00694549-11
  • MLS001148094
  • (+,-)-Tropyl tropate
  • AB00694549-12
  • bmse000649
  • (3-exo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl alpha-(hydroxymethyl)benzeneacetate
  • Symax (TN)
  • DUODOTE COMPONENT ATROPINE
  • Hyosyne
  • Atropine, analytical standard
  • endo-(+/-)-alpha-(Hydroxymethyl)benzeneacetic acid 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester
  • Gastrosed

MDL Number

MFCD00022622

Customs Code

2939999090

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