methylhomatropine nitrate (Q27264480)

(3-endo)-3-[2-Hydroxy(phenyl)acetoxy]-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane nitrate (English)

14 October 2016

chemical formula

C₁₇H₂₄N₂O₆

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

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

1 reference

methylhomatropine nitrate (English)

14 October 2016

isomeric SMILES

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

1 reference

methylhomatropine nitrate (English)

InChI=1S/C17H24NO3.NO3/c1-18(2)13-8-9-14(18)11-15(10-13)21-17(20)16(19)12-6-4-3-5-7-12;2-1(3)4/h3-7,13-16,19H,8-11H2,1-2H3;/q+1;-1/t13-,14+,15+,16?;

14 October 2016

Identifiers

InChI

1 reference

methylhomatropine nitrate (English)

DRTHYWDOFIVHKK-RIMUKSHESA-N

14 October 2016

InChIKey

1 reference

methylhomatropine nitrate (English)

14 October 2016

2 references

methylhomatropine nitrate (English)

DRTHYWDOFIVHKK-RIMUKSHESA-N

14 October 2016

InChIKey

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=60539-03-9

1 reference

(3-endo)-3-[2-Hydroxy(phenyl)acetoxy]-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane nitrate (English)

DSSTOX compound identifier

14 October 2016

DSSTox substance ID

DTXSID90975950

0 references

DTXCID601403336

0 references

EC number

262-283-9

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.056.604

27 December 2018

ECHA Substance Infocard ID

N-methylhomatropinium nitrate (English)

quotation

CAS no.: 60539-03-9 (English)

100.056.604

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.056.604

27 December 2018

N-methylhomatropinium nitrate (English)

quotation

CAS no.: 60539-03-9 (English)

2 references

methylhomatropine nitrate (English)