UCSF

ZINC00896487

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 22 Yes

Popular Name: Clorazepate Clorazepate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 23887-31-2 , 57109-90-7 , 5991-71-9

Other Names:

(Chloromethyl)(dimethyl)(tridecyloxy)silane

1H-1,4-Benzodiazepine-3-carboxylic acid, 2,3-dihydro-7-chloro-2-oxo-5-phenyl-, monopotassium salt; 1H-1,4-Benzodiazepine-3-carboxylic acid, 2,3-dihydro-7-chloro-2-oxo-5-phenyl-,monopotassium salt; 1H-1,4-Benzodiazepine-3-carboxylic acid, 7-chloro-2,3-dihy

1H-1,4-Benzodiazepine-3-carboxylic acid, 7-chloro-2,3-dihydro-2-oxo-5-phenyl-

1H-1,4-Benzodiazepine-3-carboxylic acid, 7-chloro-2,3-dihydro-2-oxo-5-phenyl-; 7-Chloro-2,3-dihydro-2,2-dihydroxy-5-phenyl-1H-1,4-benzodiazepine-3-carboxylic acid; Cchlorazepic acid; Clorazepate; Clorazepic acid; Clorazepic acid [BAN]; DEA No. 2768; EINEC

20432-69-3

23887-31-2

23887-31-2; C06921; Clorazepate; Clorazepic acid

28425-34-5

4306 CB; ABBOTT-35616; 4311 CB; ABBOTT-39083

57109-90-7; Clorazepate dipotassium (JP16/USP); D00694; Tranxene (TN)

5991-71-9; Clorazepate monopotassium (USAN); D03562

7-chloro-2,3-dihydro-2,2-dihydroxy-5-phenyl-1H-1,4-benzodiazepine-3-carboxylate; clorazepate

7-Chloro-2,3-dihydro-2,2-dihydroxy-5-phenyl-1H-1,4-benzodiazepine-3-carboxylic acid

7-chloro-2,3-dihydro-2,2-dihydroxy-5-phenyl-1H-1,4-benzodiazepine-3-carboxylic acid; Clorazepate

7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylic acid

7-chloro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepine-3-carboxylic acid

AC1L1EIN

AC1Q3S8C

AR-1H3291

C06921

Cchlorazepic acid

CHEBI:3761

CHEMBL1213252

Chlorazepate

Chlorazepic acid

CID2809

Clorazepate dipotassium

Clorazepate Dipotassium (JAN

Clorazepic acid

Clorazepic Acid (BAN); Clorazepate Dipotassium (FDA

Clorazepic Acid (BAN); Clorazepate Monopotassium (USAN)

clorazepic acid anion

Clorazepic acid [BAN]

DAP000240

DB00628

DEA No. 2768

EINECS 245-926-8

FDA

Gen-xene

HSDB 3041

JAN

LS-182361

LS-187760

MolPort-004-285-851

nchembio747-comp25

Novo-Clopate

Tranxene

Tranxene /Cherazepate dipotasium/

UNII-D51WO0G0L4

USAN

USAN); Dipotassium Clorazepate (INN); Clorazepate Monopotassium (USAN)

USP

USP); Dipotassium Clorazepate (INN)

USP); Dipotassium Clorazepate (INN); Clorazepate Monopotassium (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) 0.27 -2.99 -49.97 1 5 -1 81 313.72 2 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.48e-02 g/l DrugBank-approved
PUBCHEM_PATENT_ID EP0110955A1; EP0110955B1; EP0117693A2; EP0190969A2; EP0190969B1; EP0196002A2; EP0196002B1; EP0208617A1; EP0216555A2; EP0216555B1; EP0234600A1; EP0260711A2; EP0260711B1; EP0302693A2; EP0302693B1; EP0310801A1; EP0314206A1; EP0314206B1; EP0327766A2; EP033554 IBM Patent Data

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