UCSF

ZINC03830432

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 44 No

Popular Name: Cefoperazone Cefoperazone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 62893-19-0 , 62893-20-3 , 62893-20-3, 62893-19-0 [c

Other Names:

(6R,7R)-7-((R)-2-(4-Ethyl-2,3-dioxo-1-piperazinylcarboxamido)-2-(4-hydroxyphenyl)acetamido)-3-((1-methyl-1H-tetrazol-5-yl)thiomethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-2-carbonsaeure

(6R,7R)-7-((R)-2-(4-Ethyl-2,3-dioxo-1-piperazinylcarboxamido)-2-(4-hydroxyphenyl)acetamido)-3-((1-methyl-1H-tetrazol-5-yl)thiomethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-2-carbonsaeure; (6R,7R)-7-[[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-

(6R,7R)-7-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

(6R,7R)-7-[[(2S)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

(6R,7R)-7-[[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

(6R,7R)-7-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)thio]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

(6R,7R)-7-{[{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}(4-hydroxyphenyl)acetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

(6R,7S)-7-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

(6R,7S)-7-[[(2S)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

(6S,7R)-7-[[(2S)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((((4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl)amino)(4-hydroxyphenyl)acetyl)amino)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, (6R-(6-alpha,7-beta(R*)))-

5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((((4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl)amino)(4-hydroxyphenyl)acetyl)amino)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, (6R-(6alpha,7beta(R*)))-

5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((((4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl)amino)(4-hydroxyphenyl)acetyl)amino)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, (6R-(6alpha,7beta(R*)))-, mixt. with (2S-cis)-3,3-dimethyl-7-ox

5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((((4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl)amino)(4-hydroxyphenyl)acetyl)amino)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, monosodium salt, (6R-(6alpha,7beta(R*)))-; C25H26N9O8S2.Na; CEF

62893-19-0

62893-19-0; CPZ; Cefobid (TN); Cefoperazone (INN); D07645; Peracef [veterinary] (TN)

62893-20-3 (hydrochloride salt)

62893-20-3; C08112; Cefoperazone sodium

62893-20-3; CPZ; Cefobid (TN); Cefoperazone sodium (JP16/USP); D00918

7-[[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

72448-63-6

7beta-{[{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}(4-hydroxyphenyl)acetyl]amino}-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl-3,4-didehydrocepham-4-carboxylic acid

AC-12103

AC1L1E3W

AC1L2BAU

AC1L2BAX

AC1O7GNF

AC1OFCHJ

AC1OFCHP

AC1OFCHV

BIDD:GT0677

BPBio1_000367

BRD-K02292852-335-03-1

BRN 0603333

BSPBio_000333

BSPBio_002332

C06883

C25H27N9O8S2

cef-

Cefazone sodium salt

Cefobid

Cefobid (TN)

Cefobis

Cefoper

Cefoperazin

cefoperazole sodium

Cefoperazon

Cefoperazone (BAN

Cefoperazone (INN)

Cefoperazone dihydrate

Cefoperazone dihydrate; Prestwick_735

Cefoperazone Sodium

Cefoperazone sodium salt

Cefoperazone [INN:BAN]

cefoperazone; cefoperazono; cefoperazonum

Cefoperazono

Cefoperazono [inn-spanish]

Cefoperazono [inn-spanish];Cefoperazonum [inn-latin]

Cefoperazonum

Cefoperazonum [inn-latin]

CHEBI:258120

CHEBI:3493

CHEMBL507674

ChemDiv1_024737

CID2630

CID44185

CID44187

CID6604594

CID7048628

CID7048630

CID7048632

CP 52640

CP-52640-2

CP-526402; CP-52640-2; T-1551

D07645

DAP000450

DB01329

DivK1c_000128

EINECS 263-749-4

HMS2090M09

I06-1099

IDI1_000128

INN); Cefoperazone Sodium (FDA

JAN

KBio1_000128

KBio2_001919

KBio2_004487

KBio2_007055

KBio3_001552

KBioGR_000663

KBioSS_001919

LS-150056

LS-187731

MolPort-005-933-617

NCGC00179599-01

NINDS_000128

Peracef [veterinary]

Peracef [veterinary] (TN)

Prestwick0_000327

Prestwick1_000327

Prestwick2_000327

Prestwick3_000327

SPBio_001627

SPBio_002254

Spectrum2_001764

Spectrum3_000746

Spectrum4_000322

Spectrum5_001140

Spectrum_001439

Store at 2-8°C

T-1551

UNII-7U75I1278D

USAN

USAN)

USP

USP)

[6R-[6.alpha.,7.beta.(R*)]]-7-[[[[(4-Ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino](4-hydroxyphenyl)acetyl]amino]-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4. 2.0]oct-2-

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) -1.04 -4.66 -79.31 3 17 -1 223 644.672 9 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.86e-01 g/l DrugBank-approved
therap antibacterial MicroSource Spectrum
Therapy antimicrobial SMDC MicroSource
UniProt Database Links CBPZ_CHICK; CBPZ_HUMAN; CBPZ_MOUSE; CBPZ_RAT; INTZ_ECOLI; RNZC_ARATH ChEBI
PUBCHEM_PATENT_ID EP0053893A1; EP0055062A1; EP0092948A1; EP0092948A2; EP0101170A1; EP0101199A1; EP0108295A1; EP0118196A1; EP0127636A1; EP0135521A1; EP0137794A1; EP0138523A1; EP0145240A2; EP0150984A2; EP0150984B1; EP0154132A1; EP0154132B1; EP0154444A1; EP0181702A1; EP019083 IBM Patent Data
PUBCHEM_SUBSTANCE_COMMENT not available PDSP via PubChem

Activity (Go SEA)

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