(Q27274405)

219861-08-2 (English)

14 October 2016

chemical formula

C₂₂H₂₃FN₂O₅

1 reference

219861-08-2 (English)

14 October 2016

canonical SMILES

CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O

1 reference

219861-08-2 (English)

InChI=1S/C20H21FN2O.C2H2O4/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20;3-1(4)2(5)6/h4-9,12H,3,10-11,14H2,1-2H3;(H,3,4)(H,5,6)

14 October 2016

Identifiers

InChI

1 reference

219861-08-2 (English)

14 October 2016

1 reference

Global Substance Registration System

219861-08-2 (English)

14 October 2016

1 reference

UNII

B5RDX2419X

citalopram oxalate (English)

14 October 2016

1 reference

Escitalopram Oxalate (English)

14 October 2016

2 references

219861-08-2 (English)

14 October 2016

171114830

1 reference

ChEBI ID

180973

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

International Chemical Identifier

InChI

InChI=1S/C20H21FN2O.C2H2O4/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20;3-1(4)2(5)6/h4-9,12H,3,10-11,14H2,1-2H3;(H,3,4)(H,5,6)

SureChEMBL ID

SCHEMBL2010566

2 references

based on heuristic

inferred from InChIKey

splash10-004i-0469000000-284169906eb05fc9b7b2

1 reference

0 references

UNII

B5RDX2419X

2 references

stated in

Global Substance Registration System

UNII

B5RDX2419X

citalopram oxalate (English)

14 October 2016