atropinium (Q27125007)

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chemical compound

atropinium cation
atropinium(1+)

Language	Label	Description	Also known as
English	atropinium	chemical compound	atropinium cation atropinium(1+)

Statements

group of stereoisomers

0 references

chemical compound

0 references

tropinesterase activity

1 reference

Gene Ontology release 2020-05-02

Rhea release 113

atropine biosynthetic process

subject has role

1 reference

Gene Ontology release 2022-07-01

290.175079±0 dalton

1 reference

language of work or name

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

6 October 2016

chemical formula

C₁₇H₂₄NO₃⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C[NH+]1C2(CCC1(CC(C2)(OC(C(CO)(C3=CC=CC=C3)[H])=O)[H])[H])[H]

1 reference

language of work or name

atropinium (English)

6 October 2016

isomeric SMILES

C[NH+]1[C@]2(CC[C@@]1(C[C@@](C2)(OC(C(CO)(C3=CC=CC=C3)[H])=O)[H])[H])[H]

1 reference

language of work or name

atropinium (English)

6 October 2016

Identifiers

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/p+1/t13-,14+,15+,16?

1 reference

language of work or name

atropinium (English)

6 October 2016

RKUNBYITZUJHSG-SPUOUPEWSA-O

2 references

language of work or name

atropinium (English)

6 October 2016

ChEBI release 2020-09-01

1 reference

language of work or name

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

6 October 2016

mapping relation type

2 references

language of work or name

atropinium (English)

6 October 2016

matched by identifier from

International Chemical Identifier

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/p+1/t13-,14+,15+,16?

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