UCSF

ZINC01632794

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 28 Yes

Popular Name: Di-p-toluoyl-D-tartaric acid Di-p-toluoyl-D-tartaric acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 128173-53-5 , 217968-14-4 , 272788-00-8 , 32634-66-5 , 32634-68-7 , 68935-27-3 , 71607-31-3 , 71607-32-4 , [32634-68-7]

Other Names:

"(+)-Di-1,4-toluoyl-D-tartaric acid, 99%"

"Di-p-toluoyl-D-tartaric acid monohydrate, 99%"

(+)-Di-1,4-toluoyl-D-tartaric acid

(+)-Di-1,4-toluoyl-D-tartaric acid monohydrate

(+)-Di-p-toluoyl-D-tartaric acid

(+)-NICOTINE (+)-DI-P-TOLUOYLTARTRATE SALT

(+)-O,O'-Di-p-toluoyl-D-tartaric Acid

(-)-4-(4-Dimethylamino)-1-(4-fluorophenyl)-1-(hydroxybuty)-3-hydroxymethyl)-benzonitrile hemi D-(+)-di-p-toloyltartaric acid salt

(-)-Di-p-toluoyl-L-tartaric acid, 97%

(-)-Di-p-toluoyl-L-trataric acid

(2R,3R)-2,3-Bis((4-methylbenzoyl)oxy)succinic acid hydrate

(2S,3S)-(+)-2,3-Bis[(4-methylbenzoyl)oxy]butane-1,4-dioic acid

(2S,3S)-2,3-Bis((4-methylbenzoyl)oxy)succinic acid

(2S,3S)-2,3-Bis((4-methylbenzoyl)oxy)succinic acid hydrate

(2S,3S)-2,3-Bis[(4-Methylbenzoyl)oxy]butanedioic acid

4- -1- -1- -benzonitrilehemiD- -di-p-toloyltartaricacidsalt

1-(4-Fluorophenyl)-1,3-dihydro-5-isobenzofurancarbonitrile

Benzaldehyde, 5-amino-2-(octyloxy)-, diethyl acetal, compd. with tartaric acid di-p-toluate; LS-24918; M & B 6064; Tartaric acid, di-p-toluate, compd. with 5-amino-2-(octyloxy)benzaldehyde diethyl acetal

D-Tartaric acid 2,3-di-p-toluoyl ester monohydrate

Di-O-4-toluoyl-D-tartaric acid

Di-p-toluoyl-d-tartaric acid anhydrous

Di-p-toluoyl-D-tartaric acid monohydrate

Di-p-toluoyl-D-tartaric acid monohydrate, 98%

Di-p-toluoyl-D-tartaric acid, 98%

Di-p-toluoyl-L-tartaric acid monohydrate

Ditoluoyl-D-tartaric acid

DITOLUOYLTARTARICACIDMONOHYDRAT

LS-154402; M & B 6153; Tartaric acid, di-p-toluate, compd. with 4-(octyloxy)-alpha-propoxy-m-toluidine; m-Toluidine, 4-(octyloxy)-alpha-propoxy-, compd. with tartaric acid di-p-toluate

MFCD00008552

MFCD00064440

MFCD00149567

MFCD00151034

OR-1922

R-Venlafaxine-di-p-toluoyl-D-tartrateSalt

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.27 13.46 -139.63 0 8 -2 133 384.34 9 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 163-165? Alfa-Aesar
Melting_Point 163-165° Alfa-Aesar
Mp [°C] 164 - 170 Acros Organics
Melting_Point 169-171? Alfa-Aesar
MP 169-171° Oakwood Chemical
Purity 98% Fluorochem
Purity >99% Fluorochem
Indications anticancer KeyOrganics Bioactives
Warnings IRRITANT Matrix Scientific
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ACES-8-E Acetylcholinesterase (cluster #8 Of 12), Eukaryotic Eukaryotes 62 0.36 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACES_HUMAN P22303 Acetylcholinesterase, Human 62 0.36 Binding ≤ 1μM
ACES_HUMAN P22303 Acetylcholinesterase, Human 62 0.36 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Neurotransmitter Clearance In The Synaptic Cleft
Synthesis of PC
Synthesis, secretion, and deacylation of Ghrelin

Analogs ( Draw Identity 99% 90% 80% 70% )