Escitalopram USP Related Compound A

cas: 128173-53-5 — see every product listed under this CAS number, including other names

Escitalopram USP Related Compound A (CAS 128173-53-5) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-E032001
cas128173-53-5
sizeon request
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(2S,3S)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid;bis(4-[(1S)-4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile) (CAS 128173-53-5) is a chemical compound with the molecular formula C60H64F2N4O12 and a molecular weight of 1071.2 g/mol. IUPAC name: (2S,3S)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid;bis(4-[(1S)-4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile). InChIKey: XADVDTANOZJZTP-XZWFXUMZSA-N.

Identity
Molecular formulaC60H64F2N4O12
Molecular weight1071.2 g/mol
IUPAC name(2S,3S)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid;bis(4-[(1S)-4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile)
InChIKeyXADVDTANOZJZTP-XZWFXUMZSA-N
SMILESCC1=CC=C(C=C1)C(=O)O[C@@H]([C@@H](C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O.CN(C)CCC[C@](C1=CC=C(C=C1)F)(C2=C(C=C(C=C2)C#N)CO)O.CN(C)CCC[C@](C1=CC=C(C=C1)F)(C2=C(C=C(C=C2)C#N)CO)O

Computed by PubChem (NCBI)

Synonyms: Citadiol hemidtta, (S,S,S)-, Citadiol hemi-bis-4-toluoyl-D-tartrate, (S)-, Escitalopram USP Related Compound A, (S)-citadiol hemi-bis-4-toluoyl-D-tartrate, Escitalopram Related Compound A D-DTTA Salt

Also listed as

Citalopram Impurity 24 Hubei YoungXin CAS 128173-53-5
(S)-4-(4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)-benzonitrile Di-p-toluoyl-D-tartrate Salt (2:1) TRC CAS 128173-53-5
4-((1S)-4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile Hemi-(+)-di-p-toluoyltartrate Mikromol CAS 128173-53-5