IBD Research Resource Center

BioID	bio101603
Name	ESCITALOPRAM OXALATE
ChEMBL ID	CHEMBL1200322
Molecular Formula	C22H23FN2O5
Molecular Weight	414.43
Molecular Weight (Monoisotopic)	324.1638
Type	Small molecule
Max Phase	Phase 4
Target ID	Tar89
Target Name	None
Synonyms	CITALOPRAM OXALATE, (S)-\|ESCITALOPRAM (AS OXALATE)\|ESCITALOPRAM OXALATE\|LEXAPRO\|LU 26-054-0\|LU-26-054-0\|LU-26-054-O\|NSC-758934
Smiles	CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21.O=C(O)C(=O)O
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)/t20-;/m0./s1
Inchi Key	KTGRHKOEFSJQNS-BDQAORGHSA-N
Molecular Species	BASE
Targets	30.0
Bioactivities	49.0
Np Likeness Score	-0.47
Records Key	['(S)-citalopram.oxalate', 'SID26749920', 'ESCITALOPRAM OXALATE', 'ESCITALOPRAM OXALATE', 'SID49681820', 'Escitalopram oxalate', 'SAM001246668', 'SID170465453', 'SID144205088', 'ESCITALOPRAM OXALATE', 'Escitalopram oxalate', 'ESCITALOPRAM OXALATE', 'ESCITALOPRAM OXALATE', 'ESCITALOPRAM OXALATE', 'ESCITALOPRAM OXALATE']
Records Name	['(S)-citalopram oxalate', 'SID26749920', 'ESCITALOPRAM OXALATE', 'ESCITALOPRAM OXALATE', 'SID49681820', 'Escitalopram oxalate', 'C0164616', 'SID170465453', 'SID144205088', 'ESCITALOPRAM OXALATE', 'Escitalopram oxalate', 'ESCITALOPRAM OXALATE', 'ESCITALOPRAM OXALATE', 'ESCITALOPRAM OXALATE', 'ESCITALOPRAM OXALATE']
Withdrawn Flag	False
Orphan	0