methylatropinium (Q27269116)

METHYLATROPINE (English)

14 October 2016

chemical formula

C₁₈H₂₆NO₃⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C

1 reference

methylatropinium (English)

14 October 2016

isomeric SMILES

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

1 reference

methylatropinium (English)

14 October 2016

1 reference

Medical Subject Headings

MeSH descriptor ID

C006649

InChI=1S/C18H26NO3/c1-19(2)14-8-9-15(19)11-16(10-14)22-18(21)17(12-20)13-6-4-3-5-7-13/h3-7,14-17,20H,8-12H2,1-2H3/q+1/t14-,15+,16+,17?

15 March 2018

Identifiers

InChI

1 reference

methylatropinium (English)

14 October 2016

1 reference

methylatropinium (English)

PIPAJLPNWZMYQA-YVSFHVDLSA-N

14 October 2016

1 reference

ChEBI release 2020-09-01

CAS Registry Number

31610-87-4

2 references

methylatropinium (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=31610-87-4

8 April 2021

1 reference

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

14 October 2016

1 reference

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

14 October 2016

ChEBI ID

134749

mapping relation type

exact match

2 references

ChEBI release 2019-10-02

ChEBI release 2021-03-01

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

METHYLATROPINE (English)

14 October 2016

1 reference

DSSTOX compound identifier

0 references

1 reference

Medical Subject Headings

14 March 2018

1 reference

6 July 2021

CAS no.: 31610-87-4 (English)

matched by identifier from

Methylatropine (English)

DB13833

1 reference

2 references

methylatropinium (English)

matched by identifier from

14 October 2016