UCSF

ZINC00056568

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 12 Yes

Popular Name: 4-Phenylbutyric acid 4-Phenylbutyric acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 103-45-7 , 12/1/1821 , 1716-12-7 , 1821-12-1 , 1821-12-1, 1716-12-7 [sod , 2218-80-6 , 38582-18-2 , 4441-63-8 , 52791-03-4 , 55700-14-6 , 61886-29-1 , 62637-99-4 , 62638-03-3 , 62638-04-4 , 62638-05-5 , 62669-65-2 , [1716-12-7] , [1821-12-1]

Other Names:

"4-Phenylbutyric acid, 99%"

1-Phenylbutyric acid; 4-Phenylbutanoic acid; 4-Phenylbutyric acid; 4-phenylbutyrate; AI3-12065; Benzenebutanoic acid; Benzenebutyric acid; Butyric acid, 4-phenyl-; C10H12O2; EINECS 217-341-8; LS-173716; NSC 295; gamma-Phenylbutyric acid; omega-Phenylbutan

1716-12-7; Benzenebutanoic Acid; CPD000059104; SAM002264634

1716-12-7; Buphenyl (TN); D05868; Sodium phenylbutyrate (JAN/USAN)

2-Phenylethylacetate

4-Cyclohexanebutyric Acid

4-Cyclohexylbutyric acid barium salt

4-Cyclohexylbutyric acid cadmium salt

4-Cyclohexylbutyric acid copper(II) salt

4-Cyclohexylbutyric acid lead(II) salt

4-Cyclohexylbutyric acid silver salt

4-Cyclohexylbutyric acid zinc salt dihydrate

4-Phenybutytic acid

4-Phenyl butyric acid

4-PHENYL-BUTANOIC ACID; 4-Phenyl-n-butyric acid; Benzenebutyric acid; PBA; gamma-Phenyl-n-butyric acid; gamma-phenylbutyric acid; omega-Phenylbutanoic acid; omega-phenylbutyric acid

4-Phenyl-Butyrate;4-Phenyl-Butyric acid;4-Phenyl-N-butyrate;4-Phenyl-N-butyric acid;4-Phenylbutanoate;4-Phenylbutanoic acid;4-Phenylbutyrate;4-Phenylbutyric acid;Benzenebutanoate;Benzenebutanoic acid;Benzenebutyrate;Benzenebutyric acid;g-Phenyl-Butyrate;g

4-phenylbutanoic acid

4-Phenylbutanoic acid 98%

4-Phenylbutyric acid, 99%

4-Phenylbutyric acid; 4-phenylbutanoic acid; Benzenebutanoic acid; Butyric acid, 4-phenyl-; PBA; bmse000701

4-PHENYLBUTYRIC ACID; CPD000059104; SAM002264634

4-Phenylbutyricacid

4PBA; Benzenebutanoic acid, sodium salt; Sodium 4-phenylbutyrate

Ammonaps

Ammonaps; Buphenyl; TriButyrate

Ammonapse

BAN

Barium cyclohexanebutyrate, AAS, Ba 28.9%

Benzenebutanoic acid

BRD-K67102207-001-02-6

Buphenyl

Cadmium cyclohexanebutyrate

CHEBI:64058

CMK-304

Copper(II) cyclohexanebutyrate, AAS, Cu 15.8%

Cyclohexanebutyric acid barium salt

Cyclohexanebutyric acid cadmium salt

Cyclohexanebutyric acid copper(II) salt

Cyclohexanebutyric acid lead(II) salt

Cyclohexanebutyric acid potassium salt

Cyclohexanebutyric acid silver salt

Cyclohexanebutyric acid sodium salt

Cyclohexanebutyric acid strontium salt

Cyclohexanebutyric acid zinc salt dihydrate

EL-532

FDA

FDA)

Gamma-Phenyl-Butyric Acid

Lead(II) cyclohexanebutyrate

Lead(II) cyclohexanebutyrate, 94%

Lunaphen

Methyl7-Nitro-1,4-benzodioxane-6-carboxylate

MFCD00004403

MFCD00013051

MFCD00035537

MFCD00036395

MFCD00036396

MFCD00036397

MFCD00036398

MFCD00036399

MFCD00036403

MFCD00050727

MFCD00800247

N/A

NaPb

OR-1807

Phenethylacetate

phenylbutyric acid

Phenylbutyric acid sodium salt

Potassium 4-cyclohexylbutyrate

Potassium cyclohexanebutyrate, AAS, K 18.8%

Potassium cyclohexanebutyrate, K 16.6-18.8%

Silver cyclohexanebutyrate

Silver cyclohexanebutyrate, 99% (dry wt.)

Sodium 4-cyclohexylbutyrate

Sodium 4-phenylbutanoate

Sodium 4-phenylbutyrate

Sodium cyclohexanebutyrate, AAS, Certified Na Content

Sodium Phenylbutyrate

Sodium Phenylbutyrate (BAN

Sodium Phenylbutyrate (FDA

Strontium 4-cyclohexylburate

Strontium cyclohexanebutyrate, AAS

TriButyrate

USAN

USAN)

VP-101

Zinc cyclohexanebutyrate dihydrate, AAS

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) 2.15 7.42 -45.13 0 2 -1 40 163.196 4 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 126? dec. Alfa-Aesar
Melting_Point 126° dec. Alfa-Aesar
BP [°C] 165 (p=10 torr) Acros Organics
Boiling_Point 165?/10mm Alfa-Aesar
Boiling_Point 165°/10mm Alfa-Aesar
BP 175 / 20 TCI
Melting_Point 264? dec. Alfa-Aesar
Melting_Point 264° dec. Alfa-Aesar
mp 48 MolMall (formerly Molecular Diversity Preservation International)
Mp [°C] 49 - 52 Acros Organics
Melting_Point 49-53? Alfa-Aesar
Melting_Point 49-53° Alfa-Aesar
ALOGPS_SOLUBILITY 5.13e-01 g/l DrugBank-experimental
MP 50 - 52 Enamine Building Blocks
MP 50...52 Enamine Building Blocks
MP 52 TCI
Melting_Point 77-80? Alfa-Aesar
Melting_Point 77-80° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Fluorochem
therap antihyperammonemic,antineoplastic MicroSource Spectrum
Therapy antiinflammatory SMDC MicroSource
Melting_Point ca 225? dec. Alfa-Aesar
Melting_Point ca 225° dec. Alfa-Aesar
Melting_Point ca 255? dec. Alfa-Aesar
Melting_Point ca 255° dec. Alfa-Aesar
Target HDAC Selleck Chemicals
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : P-3345 NIH Clinical Collection via PubChem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: P-3345 NIH Clinical Collection via PubChem

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