Atropine sulfate monohydrate

CAS Registry Number®

5908-99-6
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CAS Name

Atropine sulfate monohydrate

Molecular Formula

C17H23NO3.1/2H2O4S.1/2H2O

Cite this Page

Atropine sulfate monohydrate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=5908-99-6 (retrieved 2021-12-06) (CAS RN: 5908-99-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C17H23NO3.H2O4S.H2O/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;1-5(2,3)4;/h2-6,13-16,19H,7-11H2,1H3;(H2,1,2,3,4);1H2/t13-,14+,15+,16?;;

InChIKey

InChIKey=PVGPXGKNDGTPTD-ODJCEOKHNA-N

SMILES

O(C(C(CO)C1=CC=CC=C1)=O)[C@H]2C[C@@H]3N(C)[C@H](C2)CC3.S(=O)(=O)(O)O.O

Canonical SMILES

O=C(OC1CC2N(C)C(CC2)C1)C(C=3C=CC=CC3)CO.O=S(=O)(O)O.O

Other Names for this Substance

  • Benzeneacetic acid, α-(hydroxymethyl)-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester sulfate, hydrate (2:1:1)
  • H,5αH-Tropan-3α-ol, (±)-tropate (ester), sulfate (2:1), hemihydrate
  • Benzeneacetic acid, α-(hydroxymethyl)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester endo-(±)-, sulfate (2:1) (salt), monohydrate
  • Benzeneacetic acid, α-(hydroxymethyl)- (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, sulfate (2:1) (salt), monohydrate
  • Atropine sulfate hydrate