(Q27277218)

UNII-EKC5FB482J (English)

Allococaine hydrochloride

14 October 2016

stereoisomer of

cocaine hydrochloride

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₇H₂₂ClNO₄

1 reference

UNII-EKC5FB482J (English)

14 October 2016

canonical SMILES

CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)OC.Cl

1 reference

UNII-EKC5FB482J (English)

14 October 2016

isomeric SMILES

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

1 reference

UNII-EKC5FB482J (English)

InChI=1S/C17H21NO4.ClH/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11;/h3-7,12-15H,8-10H2,1-2H3;1H/t12-,13+,14-,15-;/m0./s1

14 October 2016

Identifiers

InChI

1 reference

UNII-EKC5FB482J (English)

PIQVDUKEQYOJNR-UOIZBMALSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

UNII-EKC5FB482J (English)

14 October 2016

2 references

UNII

EKC5FB482J

pseudococaine hydrochloride (English)

PIQVDUKEQYOJNR-UOIZBMALSA-N

14 October 2016

InChIKey

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=6363-57-1

1 reference

Methyl (1R,2S,3S,5S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate hydrochloride (1:1) (English)

14 October 2016

1 reference

Global Substance Registration System

UNII-EKC5FB482J (English)

14 October 2016

1 reference

1 reference

UNII

EKC5FB482J

pseudococaine hydrochloride (English)