ipratropium chloride (Q27105173)

(3-endo,8-syn)-3-[(3-Hydroxy-2-phenylpropanoyl)oxy]-8-isopropyl-8-methyl-8-azoniabicyclo[3.2.1]octane chloride (English)

5 October 2016

chemical formula

C₂₀H₃₀ClNO₃

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(C)[N+]1(C)C2(CCC1(CC(C2)(OC(C(CO)(C3=CC=CC=C3)[H])=O)[H])[H])[H].[Cl-]

1 reference

ipratropium chloride (English)

5 October 2016

isomeric SMILES

CC(C)[N@+]1(C)[C@]2(CC[C@@]1(C[C@@](C2)(OC(C(CO)(C3=CC=CC=C3)[H])=O)[H])[H])[H].[Cl-]

1 reference

ipratropium chloride (English)

InChI=1S/C20H30NO3.ClH/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H/q+1;/p-1/t16-,17+,18+,19?,21+;

5 October 2016

Identifiers

InChI

1 reference

ipratropium chloride (English)

MQIPRYDNKGFOGV-VVQPYUEFSA-M

5 October 2016

InChIKey

2 references

ipratropium chloride (English)

5 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(3-endo,8-syn)-3-[(3-Hydroxy-2-phenylpropanoyl)oxy]-8-isopropyl-8-methyl-8-azoniabicyclo[3.2.1]octane chloride (English)

5 October 2016

ChEBI ID

553542

mapping relation type

2 references

ipratropium chloride (English)