UCSF

ZINC03913937

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2005 36 No

Popular Name: PIPERACILLIN SODIUM PIPERACILLIN SODIUM

Find On: PubMed — Wikipedia — Google

CAS Numbers: 59703-84-3 , 59703-84-3, 66258-76-2 [p , 59703-84-3, 66258-76-2 [piperacillin], 61477-96-1 [anhydrous] , 61477-96-1 , 66258-76-2 , [59703-84-3] , [61477-96-1]

Other Names:

(2S,5R,6R)-6-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

(2S,5R,6R)-6-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

(2S,5R,6R)-6-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; Piperacillin; Piperacillin anhydrous

(2S-(2alpha,5alpha,6beta(S*)))-6-(((((4-Ethyl-2,3-dioxopiperazin-1-yl)carbonyl)amino)phenylacetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid

cillin

4-ethyl-2,3-dioxopiperazine carbonyl ampicillin

4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-6-(((((4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl)amino)phenylacetyl)amino)-7-oxo-, (2S-(2-alpha,5-alpha,6-beta(S*)))-

4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((((4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl)amino)phenylacetyl)amino)-3,3-dimethyl-7-oxo-, (2S-(2alpha,5alpha,6beta(S*)))-

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-[[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]phenylacetyl]amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)-

59703-84-3

59703-84-3 (mono-hydrochloride salt)

59703-84-3; C07361; Piperacillin sodium; Pipracil

59703-84-3; Piperacillin sodium salt; Prestwick_1028

6-(D-(-)-alpha-(4-Ethyl-2,3-dioxo-1-piperazinecarboxamido)phenylacetamido)penicillanic acid

61477-96-1

61477-96-1; D08380; PIPC; Peracin (TN); Piperacillin (INN)

66258-76-2; D02251; PIPC; Piperacillin (USP); Piperacillin hydrate (JP16)

6beta-{(2R)-2-[(4-ethyl-2,3-dioxopiperazin-1-yl)carboxamido]-2-phenylacetamido}-2,2-dimethylpenam-3alpha-carboxylic acid

AC1L2ACR

AC1Q5QXJ

BIDD:GT0167

BPBio1_000848

BRD-K86873305-236-03-0

BSPBio_000770

C14034

C23H27N5O7S

CCRIS 7362

CHEBI:472443; CHEBI:475140; CHEBI:505944

CHEBI:8232

CHEMBL702

CID43672

CL-227193

CL-227193; T-1220

CPD000058579; PIPERACILLIN SODIUM SALT; SAM002264643

CPD000058579; PIPERACILLIN SODIUM; SAM002264643

D08380

DAP001164

EINECS 262-811-8

HMS2090H19

INN

Isipen

JAN

LS-149794

LS-149904

LS-187245

LS-188027; PIPERACILLIN SODIUM; TAZOBACTAM SODIUM; ZOSYN IN PLASTIC CONTAINER

MFCD00056867

MFCD00865043

MFCD00917471

N/A

Pentacillin

Peperacillin

Peracin

Peracin (TN)

PIPC

Piperacil

Piperacillin

Piperacillin (anhydrous)

Piperacillin (BAN

Piperacillin (INN)

Piperacillin (sodium)

Piperacillin Anhydrous

Piperacillin Monosodium Salt

Piperacillin Sodium

Piperacillin sodium salt

Piperacillin sodium; Pipracil; Sodium piperacillin

piperacillin(1-)

Piperacillin, Antibiotic for Culture Media Use Only

Piperacillin, Sodium Salt

Pipercillin

Pipracil

Pipracil, Piper

Pipril

Prestwick0_000755

Prestwick1_000755

Prestwick2_000755

Prestwick3_000755

QA-3450

Sodium (2S,5R,6R)-6-{[(2R)-2-{[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino}-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

SPBio_002709

T-1220

UNII-9I628532GX

USAN

USAN)

USP

USP)

USP); Piperacillin Sodium (FDA

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) 0.74 7.44 -68.52 2 12 -1 159 516.556 6 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.19e-01 g/l DrugBank-approved
ALOGPS_SOLUBILITY 3.40e-01 g/l DrugBank-approved
Therapy antibacterial SMDC MicroSource
Target Antifection Selleck Chemicals
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : P-9261; 1 Sodium NIH Clinical Collection via PubChem
Target Others Selleck Chemicals
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: P-9261; SALT: 1 Sodium NIH Clinical Collection via PubChem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
A2RP81-1-B PER-2 Beta-lactamase (cluster #1 Of 1), Bacterial Bacteria 200 0.26 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
A2RP81_CITFR A2RP81 PER-2 Beta-lactamase, Citfr 200 0.26 Binding ≤ 1μM
A2RP81_CITFR A2RP81 PER-2 Beta-lactamase, Citfr 200 0.26 Binding ≤ 10μM

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