UCSF

ZINC00097685

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 13 Yes

Popular Name: Hippuric acid Hippuric acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 495-69-2 , 532-94-5 , 5714-73-8 , 66407-11-2 , [15165-67-0] , [495-69-2] , [532-94-5] , [66407-11-2]

Other Names:

"Hippuric acid, 98%"

(benzoylamino)-Acetate;(benzoylamino)-Acetic acid;2-Benzamidoacetate;2-Benzamidoacetic acid;Benzamidoacetate;Benzamidoacetic acid;Benzoylglycine;Hippurate;N-Benzoylglycine;Phenylcarbonylaminoacetate;Phenylcarbonylaminoacetic acid

(Benzoylamino)acetic acid

2-(phenylformamido)acetic acid

2-benzamidoacetate; N-benzoylglycinate anion; N-benzoylglycinate(1-); N-benzoylglycine; hippurate

2-Benzamidoacetic acid

495-69-2; Benzoylaminoacetic acid; C01586; Hippurate; Hippuric acid; N-Benzoylglycine

495-69-2; Benzoylaminoacetic acid; CPD-425; Hippuric acid; N-Benzoylglycine; hippurate

5714-73-8; D00855; Hiprex (TN); Methenamine hippurate (JAN/USP); Urex (TN)

ACETIC ACID,BENZAMIDE HIPPURIC ACID; Acetic acid, (benzoylamino)-; Acido ippurico [Italian]; Benzamidoacetic acid; Benzamidoessigsaeure; Benzoylaminoacetic acid; Benzoylaminoessigsaeure; Benzoylglycine; HIPPURIC ACID; Hippursaeure; N-Benzoyl-glycin; N-Be

Benzamidoacetic acid

Benzamidoacetic acid; Benzamidoessigsaeure; Benzoylaminoessigsaeure; Hippursaeure; Phenylcarbonylaminoacetic acid

Benzoylaminoacetic acid

BENZOYLAMINOACETICACID ()

Benzoylglycine

CCRIS 5812; EINECS 208-548-4; Glycine, N-benzoyl-, monosodium salt; Hippuric acid sodium salt; Hippuric acid, monosodium salt; LS-75824; N-Benzoylglycine sodium salt; Sodium hippurate

CHEBI:14400; CHEBI:5725; CHEBI:12492; CHEBI:24595

CHEBI:24594

Dichloroprop-P

Hippuric Acid 495-69-2]; (N-Benzoyl glycine; Benzoylaminoacetic acid)

Hippuric acid sodium salt

Hippuric acid, 98%

Hippuric acid, 98.5%+

HIPPURIC ACID; [495-69-2]

HippuricAcid

Methenamine Hippurate

MFCD00002692

MFCD00002693

MFCD00144036

MFCD00149113

N-(phenylcarbonyl)glycine

N-Benzoyl-glycine sodium salt

N-benzoylglycinate

N-Benzoylglycine

N-Benzoylglycine sodium salt

N/A

NA

Sodium 2-benzamidoacetate

Sodium hippurate

Sodium hippurate hydrate

Sodium hippurate, 96%

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) -0.54 3.64 -43.67 1 4 -1 69 178.167 3 ↓
Hi High (pH 8-9.5) 0.81 3.49 -50.18 6 8 1 125 408.461 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 187-191 °C(lit.) Indofine
MP 188 - 191 Enamine Building Blocks
Melting_Point 188-191? Alfa-Aesar
Melting_Point 188-191° Alfa-Aesar
MP 188...191 Enamine Building Blocks
MP 190 TCI
mp 222 MolMall (formerly Molecular Diversity Preservation International)
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 97% Fluorochem
Patent Database Links EP1760075; US2003077595; US2008009613; US2008287437 ChEBI
UniProt Database Links GLYAT_BOVIN; GLYAT_HUMAN; GLYAT_MOUSE; GLYAT_PONAB; GLYAT_RAT; HIPO_CAMJE; S22A6_MOUSE; S22A6_PIG; S22A6_RABIT; S22A8_HUMAN; S22A8_MACFA; S22A8_MOUSE ChEBI
Warnings IRRITANT Matrix Scientific
Reactome Database Links REACT_6953 ChEBI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
Conjugation of benzoate with glycine

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

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