UCSF

ZINC00895297

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 10 Yes

Popular Name: Choline bitartrate Choline bitartrate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 100-55-0 , 116407-32-0 , 126458-15-9 , 126458-16-0 , 133-37-9 , 147-71-7 , 147-73-9 , 172152-22-6 , 17263-56-8 , 229177-52-0 , 27761-19-9 , 2944-68-5 , 3095-65-6 , 3164-29-2 , 331753-56-1 , 36702-48-4 , 39961-95-0 , 52022-10-3 , 526-83-0 , 526-94-3 , 5785-06-8 , 5908-81-6 , 5988-51-2 , 5990-63-6 , 6100-19-2 , 6108-32-3 , 634-62-8 , 6381-59-5 , 815-79-2 , 815-84-9 , 815-85-0 , 868-14-4 , 868-16-6 , 87-67-2 , 87-69-4 , 921-53-9 , 946843-80-7 , [126458-15-9] , [28300-74-5] , [3164-34-9] , [3414-63-9] , [815-84-9] , [868-19-9] , [87-67-2]

Other Names:

(+)-(2R,3R)-Tartaric acid; (+)-(R,R)-tartaric acid; (+)-L-tartaric acid; (+)-tartarate; (+)-tartaric acid; (+)-Weinsaeure; (1R,2R)-1,2-Dihydroxyethane-1,2-dicarboxylic acid; (2R,3R)-(+)-Tartaric acid; (2R,3R)-2,3-Dihydroxybernsteinsaeure; (2R,3R)-2,3-dihy

(+)-(R,R)-Tartaric acid; (+)-L-Tartaric acid; (+)-Tartaric acid; (2R,3R)-(+)-Tartaric acid; (2R,3R)-Tartaric acid; (R,R)-Tartaric acid; (R,R)-Tartrate; 1,2-Dihydroxyethane-1,2-dicarboxylic acid; 2,3-Dihydroxybutanedioic acid; AI3-06298; Acidum tartaricum

(+)-Hydrogentartrate bitartrate salt

(-)-Tartaric acid

(1R,2R)-(+)-1,2-Diaminocyclohexane L-tartrate

(1R,2R)-(+)-1,2-Diaminocyclohexane L-tartrate, 99%

(1r,2r)-1,2-diaminocyclohexaned-tartrate

(1R,2R)-Cyclohexane-1,2-diamine L-tartrate

(1S-cis)-4-Amino-2-cyclopentene-1-methanol D-hydrogen tatrate

(2-Hydroxyethyl)dimethylammonium hydrogen tartrate; 2-(Dimethylamino)-ethanol tartrate; C4H11NO; DMAE tartrate; Deanol bitartrate; Dimethylaminoethanol bitartrate; EINECS 227-809-3; Ethanol, 2-(dimethylamino)-, (R-(R*,R))-2,3-dihydroxybutanedioate (1:1) (

(2R,3R)-rel-2,3-Dihydroxysuccinic acid

(2R,3S)-2,3-dihydroxybutanedioate; 147-73-9; M-tartarate; erythrarate; meso-tartaric acid; meso-tartrate; mesotartaric acid

(2R,3S)-2,3-dihydroxybutanedioic acid; (2R,3S)-2,3-dihydroxysuccinic acid; (2R,3S)-rel-2,3-dihydroxybutanedioic acid; (2R,3S)-tartaric acid; (R*,S*)-2,3-dihydroxybutanedioic acid; 1,4-BUTANEDIOIC ACID,2,3-DIHYDROXY (TARTARIC ACID); 2,3-dihydroxysuccinic a

(2R,3S)-2,3-dihydroxysuccinic acid; (2R,3S)-rel-2,3-dihydroxybutanedioic acid; (2R,3S)-tartaric acid; (R*,S*)-2,3-dihydroxybutanedioic acid; Mesoweinsaeure; erythraric acid; internally compensated tartaric acid; meso-tartaric acid; mesotartaric acid; unre

(2S,3S)-(-)-Tartaric acid

(2S,3S)-Tartaric acid

(Mercaptoethyl)ammonium hydrogen tartrate

(Mercaptoethyl)ammonium hydrogen tartrate; C4H6O6.C2H7NS; CYSTAGON; CYSTEAMINE BITARTRATE; EINECS 248-641-7; LS-174194; Mercamine bitartrate; Mercaptoethylamine bitartrate

(R)-2-Methyl piperazine (L)tataric acid salt

(R-(R*,R*))-2,3-Dihydroxybutanedioic acid; Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, tin(2+) salt (1:1); Butanedioic acid, 2,3-dihydroxy- (theta-(theta,theta))-, tin(2++) salt (1:1); Butanedioic acid, 2,3-dihydroxy-, (R-(R*,R*))-, tin(2+) salt (1:1); EIN

(S)-2-Methylpiperazine (D)-tartrate salt

(S)-2-Methylpiperazine tartrate

(S)-2-Methylpiperazine-(D) tartaric acid salt

(S)-2-Methylpiperazine-D-tartaric acid salt

(S)-2-Methylpiperidine(2R,3R)-2,3-dihydroxysuccinate

(S)-Propane-1,2-diamine 2,3-dihydroxysuccinate

(S,S)-Tartaric acid

(S,S)-Tartrate

147-73-9; C00552; meso-Tartaric acid; meso-Tartrate

2,3-dihydroxybutanedioic acid

2,3-Dihydroxysuccinic acid

2,3-dihydroxysuccinic acid; 868-14-4; nsc155080

2,3-dihydroxysuccinic acid;Tartaric acid

2-Dimethylaminoethanol (+)-bitartrate salt

3-Methoxybenzhydrazide

Ammonium hydrogen tartrate

Ammonium L-(+)-tartrate

Ammonium L-(+)-tartrate, 98%

Ammonium tartrate, dibasic

ammoniumhydrogentartrate

Aniline antimonyl tartrate; Aniline, oxo(tartrato)antimonate(1-); Antimonyl aniline tartrate; LS-19938

Antimony potassium tartrate hydrate

Antimony potassium tartrate hydrate, 98%

Antimony potassium tartrate trihydrate

Barium tartrate

Barium tartrate, 98%

BARIUMTARTRATE

Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, lead(2+) salt (1:1); Butanedioic acid, 2,3-dihydroxy- (R-(R*,R*))-, lead(2+) salt (1:1); EINECS 212-426-6; LS-87706; Lead tartrate; Lead tartrate (PbC4H4O6); Lead tartrate (VAN); Lead(II) tartrate (1:1); NSC 1914

Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, monosodium salt; Butanedioic acid, 2,3-dihydroxy- (theta-(theta,theta))-, monosodium salt; Butanedioic acid, 2,3-dihydroxy-, (R-(R*,R*))-, monosodium salt; EINECS 208-400-9; LS-148583; Monobasic sodium tartrate

butanedioic acid, 2,3-dihydroxy-, nickel(2+) salt (1:1)

C4H10N2.C4H6O6; EINECS 205-104-1; LS-111734; Piperazine tartrate; Piperazine, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1); piperazine tartrate [1:1], (R-(R*,R*))-isomer

Calcium tartrate

CHEBI:25206; CHEBI:45680; CHEBI:10599

Choline Bitartrate (NF

CHOLINI BITARTRAS

COPPER TARTRATEHYDRATE

Copper(II)tartratehydrate

Cupric tartrate

Cysteamine Bitartrate (FDA)

D-(-)-Tartaricacid

D-Tartaric acid

D-Tartrate

D-threaric acid

DL-Tartaric acid

DL-Tartaric Acid [133-37-9]

DL-Tartaric acid, 99%

DL-TARTARIC ACID; [133-37-9]

DL-Tartaricacid

HYDRAZINETARTRATE

Iron(III)tartrate

L(+)-Tartaric acid diammonium salt, 99%

L(+)-Tartaric acid, 99+%

L(+)-Tartaric acid, ACS reagent

L(+)-TartaricAcid

L-(+)-Tartaric acid

L-(+)-Tartaric acid diammonium salt

L-Tartaric acid

L-Tartaric acid dipotassium salt

L-Tartaric acid monopotassium salt

L-Tartaric acid sodium salt

Lead(II) tartrate

Lead(II) tartrate, 99%

Levotartaric Acid

Lithium bitartrate

Lithium tartrate monohydrate

Lithium tartrate monohydrate, 99%

LS-103936; Phenol, p-amino-, oxo(tartrato)antimonate(1-)-; p-Aminophenol antimonyl tartrate

LS-117678; NSC 265486; Platinum (II), (cyclohexane-1,2-diammine)tartrato-, hydrate (5:2); Platinum, (1,2-cyclohexanediamine-N,N')(2,3-dihydroxybutanedioato(2)-O1,O2)-, (SP-4-3-(R-(R*,R*)))-; Tartrato(1,2-diaminocyclohexane)platinum(II) hydrate (5:2)

LS-192810

LS-21343

MERCAPTOETHYLAMMONIUMHYDROGENTARTRATE

meso-Tartaric acid

meso-tartrate(1-)

Mesotartaric acid

Mesotartaric acid calcium salt

Mesotartaric Acid Monohydrate

MFCD00013073

MFCD00036332

MFCD00043282

MFCD00050822

MFCD00054358

MFCD00054421

MFCD00054437

MFCD00063641

MFCD00064206

MFCD00064207

MFCD00065392

MFCD00065393

MFCD00068402

MFCD00071626

MFCD00078878

MFCD00132876

MFCD00148863

MFCD00150136

MFCD00150989

MFCD00151254

MFCD00151483

MFCD00151484

MFCD00152600

MFCD00167056

MFCD00191979

MFCD00561043

MFCD01727924

MFCD01824228

MFCD03411881

N/A

NA

NICKEL TARTRATE

nickel(2+) 2,3-dihydroxysuccinate

NICOTINYL ALCOHOL TARTRATE

Potassium antimonyl tartrate hydrate

Potassium bitartrate

Potassium hydrogen L-tartrate

Potassium hydrogen L-tartrate, 98+%

Potassium L-tartrate hemihydrate

Potassium L-tartrate hemihydrate, 99%

Potassium sodium 2,3-dihydroxysuccinate tetrahydrate

Potassium sodium L-tartrate tetrahydrate

Potassium sodium L-tartrate tetrahydrate, 99%

Potassium Sodium Tartrate

Potassium sodium tartrate tetrahydrate

Potassium sodium tartrate tetrahydrate, 99+%, for analysis

Potassiumsodiumtartratetetrahydrate

PotassiumTartrate

Rochelle Salt

RONIACOL

Sodium bitartrate

Sodium hydrogen L-tartrate, anhydrous

Sodium hydrogen L-tartrate, anhydrous, 98%

Sodium hydrogen tartrate, for analysis

Sodium potassium L-tartrate tetrahydrate

Strontium tartrate

Tartar emetic

Tartaric acid

Tartaric acid barium salt

Tartaric acid lead(II) salt

Tartaric acid lithium salt monohydrate

Tin(II) tartrate hydrate

Tin(II) tartrate hydrate, 95%

USP)

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) -2.49 -0.54 -100.12 2 6 -2 121 148.07 3 ↓
Lo Low (pH 4.5-6) -2.49 -2.52 -42.26 3 6 -1 118 149.078 3 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.61e+02 g/l DrugBank-experimental
Melting_Point 155? -H2O Alfa-Aesar
Melting_Point 155° -H2O Alfa-Aesar
Mp [°C] 168 - 172 Acros Organics
Boiling_Point 200-220? Alfa-Aesar
Boiling_Point 200-220° Alfa-Aesar
MP 210-212 °C(lit.) Indofine
Melting_Point 210-212? dec. Alfa-Aesar
Melting_Point 210-212° dec. Alfa-Aesar
Mp [°C] 253 Acros Organics
Melting_Point 273? dec. Alfa-Aesar
MP 67 - 70 Enamine Building Blocks
MP 67...70 Enamine Building Blocks
Mp [°C] 70 - 80 Acros Organics
Melting_Point 70-80? Alfa-Aesar
Melting_Point 70-80° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Melting_Point ca 243? dec. Alfa-Aesar
Melting_Point ca 243° dec. Alfa-Aesar
Melting_Point ca 267? dec. Alfa-Aesar
Melting_Point ca 267° dec. Alfa-Aesar
UniProt Database Links D2HDH_ARATH; TTUC1_AGRVI; TTUC2_AGRVI; TTUC3_AGRVI; TTUC4_AGRVI; TTUC5_AGRVI; TTUC_BACSU; TTUC_PSEPU ChEBI
H phrase H318: Causes serious eye damage Acros Organics
H phrase H335: May cause respiratory irritation Acros Organics
P phrase P280: Wear eye protection/face protection Acros Organics
P phrase P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P310: Immediately call a POISON CENTER or doctor/physician Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
R phrase R41: Risk of serious damage to eyes. Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
Patent Database Links US2004014703; US2005085532; US2008071072 ChEBI
Therapy vasodilator SMDC Pharmakon
Hazard XI: Irritant Acros Organics

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

No pre-computed analogs available. Try a structural similarity search.