UCSF

ZINC01872015

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 21 Yes

Popular Name: Benoxaprofen Benoxaprofen

Find On: PubMed — Wikipedia — Google

CAS Number: 51234-28-7

Other Names:

( -)-2-(4-Chlorophenyl)-alpha-methyl-5-benzoxazoleacetic acid

( -)-Benoxaprofen

(+-)-2-(p-Chlorophenyl)-alpha-methyl-5-benzoxazoleacetic acid

(+-)-benoxaprofen; (1)-2-(4-Chlorophenyl)benzoxazole-5-propionic acid; 2-(4-Chlorophenyl)-alpha-methyl-5-benzoxazoleacetic acid; 2-(4-chlorophenyl)-alpha-methyl-5-benzoxazoleacetic acid; 2-(p-chlorophenyl)-alpha-methyl-5-benzoxazoleacetic acid; DL-benoxap

(1)-2-(4-Chlorophenyl)benzoxazole-5-propionic acid

profen

2-(2-(4-Chlorophenyl)-1,3-benzoxazol-5-yl)propanoic acid

2-(4-Chlorophenyl)-alpha-methyl-5-benzoxazoleacetic acid

2-(p-Chlorophenyl)-.alpha.-methyl-5-benzoxazoleacetic acid

2-[2-(4-Chlorophenyl)-1,3-benzoxazol-5-yl]propanoic acid

5-Benzoxazoleacetic acid, 2-(4-chlorophenyl)-.alpha.-methyl-

5-benzoxazoleacetic acid, 2-(4-chlorophenyl)-a-methyl-

5-Benzoxazoleacetic acid, 2-(4-chlorophenyl)-alpha-methyl, (+-)-

5-Benzoxazoleacetic acid, 2-(4-chlorophenyl)-alpha-methyl-

5-Benzoxazoleacetic acid, 2-(4-chlorophenyl)-alpha-methyl-, sodium salt, hydrate; C16H11ClNO3.H2O.Na; EINECS 257-071-8; LS-42086; Sodium 2-(4-chlorophenyl)-alpha-methyl-5-benzoxazoleacetate; Sodium 2-(4-chlorophenyl)benzoxazole-5-propionate; benoxaprofen,

51234-28-7

51234-28-7; Benoxaprofen (USAN/INN); D03080; Oraflex (TN)

51234-86-7 (mono-hydrochloride salt)

67434-14-4

70062-36-1 (ammonium salt)

AC1L22RI

AC1Q5RRV

Benoxaprofen (BAN

Benoxaprofen (USAN/INN)

Benoxaprofen [USAN:INN:BAN]

benoxaprofen; benoxaprofene; benoxaprofeno; benoxaprofenum

Benoxaprofene

Benoxaprofene [inn-french]

Benoxaprofeno

Benoxaprofeno [inn-spanish]

Benoxaprofenum

Benoxaprofenum [inn-latin]

BRN 1085080

C16H12ClNO3

CHEMBL340978

CID39941

Compound 90459

Coxigon

D03080

DB04812

DCL000338

DL-benoxaprofen

EINECS 257-069-7

EINECS 266-692-3

Inflamid

INN

INN)

Lilly 90459

LRCL 3794

LS-42081

NSC 299582

NSC299582

Opren

Oraflex

Oraflex (TN)

UNII-17SZX404IM

Uniprofen

Uniprofen;Benoxaprofen

USAN

USAN)

Download: MOL2 SDF SMILES Flexibase

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) 4.53 -0.61 -46.47 0 4 -1 66 300.721 3 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 3.17e-02 g/l DrugBank-withdrawn
PUBCHEM_PATENT_ID EP0000276A1; EP0042249A2; EP0072462A2; EP0098041A2; EP0101124A1; EP0109036A1; EP0114886A1; EP0123739A2; EP0138481A2; EP0138481B1; EP0140709A2; EP0140709B1; EP0147847A2; EP0149545A2; EP0152004A1; EP0158083A2; EP0160173A1; EP0162330A1; EP0162330B1; EP017477 IBM Patent Data

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