tropine benzylate hydrochloride (Q27284273)

(3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl hydroxy(diphenyl)acetate hydrochloride (1:1) (English)

14 October 2016

chemical formula

C₂₂H₂₆ClNO₃

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CN1C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.Cl

1 reference

tropine benzylate hydrochloride (English)

14 October 2016

isomeric SMILES

CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.Cl

1 reference

tropine benzylate hydrochloride (English)

InChI=1S/C22H25NO3.ClH/c1-23-18-12-13-19(23)15-20(14-18)26-21(24)22(25,16-8-4-2-5-9-16)17-10-6-3-7-11-17;/h2-11,18-20,25H,12-15H2,1H3;1H/t18-,19+,20+;

14 October 2016

Identifiers

InChI

1 reference

tropine benzylate hydrochloride (English)

KBGDDPWSFYFMKX-BWSPSPBFSA-N

14 October 2016

InChIKey

1 reference

tropine benzylate hydrochloride (English)

14 October 2016

1 reference

tropine benzylate hydrochloride (English)

14 October 2016

1 reference

(3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl hydroxy(diphenyl)acetate hydrochloride (1:1) (English)

DSSTOX compound identifier

14 October 2016

DSSTox substance ID

DTXSID00937327

0 references

0 references

2 references

tropine benzylate hydrochloride (English)