CAS Registry Number®
5908-99-6
CAS Name
Atropine sulfate monohydrate
Molecular Formula
C17H23NO3.1/2H2O4S.1/2H2O
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
S(=O)(=O)(O)O.O(C(C(CO)C1=CC=CC=C1)=O)[C@H]2C[C@@]3(N(C)[C@](C2)(CC3)[H])[H].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)
- 1αH,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
- Atropine sulfate monohydrate
- Atrospan
