homatropine hydrochloride (Q27256525)

(3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-ylhydroxy(phenyl)acetathydrochlorid (English)

14 October 2016

chemical formula

C₁₆H₂₂ClNO₃

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

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

1 reference

homatropine hydrochloride (English)

14 October 2016

isomeric SMILES

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

1 reference

homatropine hydrochloride (English)

InChI=1S/C16H21NO3.ClH/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11;/h2-6,12-15,18H,7-10H2,1H3;1H/t12-,13+,14+,15?;

14 October 2016

Identifiers

InChI

1 reference

homatropine hydrochloride (English)

FRMDDIJBLQNNTC-RDYJJYPNSA-N

14 October 2016

InChIKey

1 reference

homatropine hydrochloride (English)

14 October 2016

2 references

homatropine hydrochloride (English)

FRMDDIJBLQNNTC-RDYJJYPNSA-N

14 October 2016

InChIKey

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=637-21-8

1 reference

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

(3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-ylhydroxy(phenyl)acetathydrochlorid (English)

14 October 2016

0 references

1 reference

DSSTOX compound identifier

DTXCID90809544

0 references

EC number

211-280-0

1 reference

homatropine hydrochloride (English)

ECHA Substance Infocard ID

14 October 2016

100.010.255

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.010.255

27 December 2018

Homatropine hydrochloride (English)

quotation

CAS no.: 637-21-8 (English)

2 references

homatropine hydrochloride (English)