UCSF

ZINC34781666

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2009 24 No

Popular Name: Ampicillin sodium Ampicillin sodium

Find On: PubMed — Wikipedia — Google

CAS Numbers: 33276-75-4 , 69-52-3 , 69-52-3, 69-53-4 [ampicil , 69-52-3, 69-53-4 [ampicillin] , 69-53-4 , 7177-48-2 , [69-52-3] , [69-53-4] , [7177-48-2]

Other Names:

(2S,5R,6R)-6-((R)-2-amino-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid; (2S,5R,6R)-6-{[(2R)-2-amino-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 6-(D-(2-amino-2

(2S,5R,6R)-6-((R)-2-Amino-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid; 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-((aminophenylacetyl)amino)-3,3-dimethyl-7-oxo-, (2S-(2alpha,5alpha,6beta(S*)))-; 4-

(2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;6-(a-Aminophenylacetamido)penicillanic acid;6-(D(-)-alpha-Aminophenylacetamido)penicillanic acid;6-D(-)-alpha-Aminophenylacetamido-pen

(2S,5R,6R)-6-{[(2R)-2-amino-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; ampicillinate

(2S,5R,6R)-6-{[(2R)-2-amino-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid trihydrate; (6R)-6-(alpha-D-phenylglycylamino)penicillanic acid trihydrate; (D-(-)-alpha-Aminobenzyl)penicillin trihydrate; 4-Thia-1-a

(2S,5R,6R)-6-{[(2R)-2-amino-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid trihydrate; aminobenzylpenicillin trihydrate

cillin

1h8s

33276-75-4; Ampicillin benzathine; D07570; Durapen (TN)

33604-21-6

37234-64-3

4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((2R)-aminophenylacetyl)amino)-3,3-dimethyl-7-oxo-, (2S,5R,6R)-, mixt. with (2S,5R)-3,3-dimethyl-7-oxo-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid 4,4-dioxide; 4-Thia-1-azabicyclo(3.2.0)heptane

47355-94-2

50584-05-9

6-(D(-)-alpha-Aminophenylacetamido)penicillanic acid

6-(D-(2-Amino-2-phenylacetamido))-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid; Aminobenzylpenicillin; Ampicillin Acid; Ampicillin Anhydrous; Anhydrous ampicillin; CPD-9195; D-(-)-6-(alpha-Aminophenylacetamido)penicillanic acid

6-{[amino(phenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

69-52-3 (mono-hydrochloride salt)

69-52-3; Ampicillin sodium (JP16/USP); D02119; Omnipen-N (TN); Viccillin (TN)

69-52-3; Ampicillin sodium salt; Prestwick_822

69-52-3; Ampicillin Sodium; CPD001317850; SAM002264590

69-53-4

69-53-4; Ampicillin; Anhydrous ampicillin; C06574

6beta-[(2R)-2-amino-2-phenylacetamido]-2,2-dimethylpenam-3alpha-carbonyl

6beta-[(2R)-2-amino-2-phenylacetamido]-2,2-dimethylpenam-3alpha-carboxylic acid

7177-48-2 (TRIHYDRATE)

800-79-3

8056-87-9

96707-69-6

98520-55-9

A9393_SIGMA

AB-PC

Ab-Pc Sol

ABPC

AC-14075

AC1L1M46

Acillin

Adobacillin

Alpen

Amblosin

Amcill

Amfipen

Amfipen V

Aminobenzylpenicillin

Amipenix S

Amp Equine

Ampen

Ampi

Ampi-Bol

Ampi-Co

Ampi-Tab

Ampichel

Ampicil

Ampicilina

Ampicilina [INN-Spanish]

ampicilina; ampicillin; ampicilline; ampicillinum

ampicillanyl

Ampicillin

Ampicillin (BAN

AMPICILLIN (SEE ALSO AMPICILLIN TRIHYDRATE 7177-48-2)

Ampicillin (USP/INN)

Ampicillin A

Ampicillin Acid

Ampicillin Anhydrate

Ampicillin Anhydrous

Ampicillin Base

Ampicillin Sodium (JAN

Ampicillin sodium salt

Ampicillin Sodium Salt, Antibiotic for Culture Media Use Only

Ampicillin Sodium [69-52-3]

AMPICILLIN SODIUM; [69-52-3]

Ampicillin trihydrate

Ampicillin [Usan:Ban:Inn:Jan]

Ampicillin [USAN:INN:BAN:JAN]

ampicillin(1-)

Ampicillin/Ampicillin Trihydrate (FDA); Ampicillin (BAN

AMPICILLIN/AMPICILLIN TRIHYDRATE; LS-187835; PRINCIPEN W/ PROBENECID; PROBENECID

Ampicillin; Ampicillin Sodium; CPD001317850; SAM002264590

Ampicillina

Ampicillina [Dcit]

Ampicilline

Ampicilline [INN-French]

Ampicillinum

Ampicillinum [INN-Latin]

Ampicin

Ampifarm

Ampikel

Ampimed

Ampipenin

Ampipenin, Nt3

Ampiplus Simplex

Ampiscel

Ampisyn

Ampivax

Ampivet

Amplacilina

Amplin

Amplipenyl

Amplisom

Amplital

Ampy-Penyl

Anhydrous Ampicillin

Anhydrous ampicillin (JP15)

Austrapen

AY 6108

AY 6108

AY-6108

AY-6108; BRL-1341; P-50

BA 7305

Bayer 5427

BIDD:GT0184

Binotal

Binotal; Campicillin; Penbritin; Principen

Bonapicillin

BPBio1_000142

Britacil

BRL

BRL 1341

BRL-1341

BSPBio_000128

BSPBio_001862

C06574

Campicillin

CHEBI:28971

CHEBI:40648; CHEBI:45042; CHEBI:2683; CHEBI:22536

CHEBI:53713

CHEMBL174

CID6249

Cimex

Copharcilin

D(-)-ALPHA-AMINOBENZYLPENICILLIN

D-(-)-6-(alpha-Aminophenylacetamido)penicillanic acid

D-(-)-alpha-Aminobenzylpenicillin

D-(-)-alpha-Aminopenicillin

D-(-)-Ampicillin

D-Ampicillin

D-Cillin

D00204

DAP000432

DB00415

Delcillin

Deripen

Divercillin

DivK1c_000466

Doktacillin

Duphacillin

EINECS 200-709-7

FDA

Geocillin

Grampenil

Guicitrina

Guicitrine

HI 63

HMS2090I11

HSDB 3009

IDI1_000466

INN

JAN

KBio1_000466

KBio2_000430

KBio2_002998

KBio2_005566

KBio3_001362

KBioGR_000598

KBioSS_000430

KS-R1

Lifeampil

LS-1586

LS-169948

MFCD00005175

MFCD00064313

MFCD00072036

MFCD00126984

MLS000028405

MLS001074168

MolPort-001-794-635

Morepen

N/A

NCGC00023282-05

NCGC00023282-06

NINDS_000466

Norobrittin

Novo-Ampicillin

NSC 528986

NSC-528986

NSC528986

Nuvapen

Olin Kid

Omnipen

OMNIPEN (AMPICILLIN)

Omnipen (TN)

Omnipen-N

Orbicilina

P 50

P-50

Pen A

Pen a Oral

Pen Ampil

Penbristol

Penbritin

Penbritin Paediatric

Penbritin Syrup

Penbritin-S

Penbrock

Penicillin, (aminophenylmethyl)-

Penicillin, Aminobenzyl

Penicline

Penimic

Pensyn

Pentrex

Pentrexl

Pentrexyl

Pfizerpen A

Pfizerpen-A

Polycillin

Polycillin-N

Polyflex (Veterinary)

Ponecil

Prestwick0_000114

Prestwick1_000114

Prestwick2_000114

Prestwick3_000114

Princillin

Principen

Principen '125'

Principen '250'

Principen '500'

Principen-N

Qidamp

Racenacillin

Ro-Ampen

Rosampline

Roscillin

SBB063111

Semicillin

Semicillin R

Servicillin

Sk-Ampicillin

SMP1_000211

SMR000058352

SPBio_000818

SPBio_002067

Spectrobid

Spectrum2_000769

Spectrum3_000301

Spectrum4_000149

Spectrum5_000814

Spectrum_000050

SQ 17382

Store at 2-8°C

Sumipanto

Supen

Synpenin

Texcillin

Tokiocillin

Tolomol

Totacillin

Totacillin (sodium)

Totacillin-N

Totalciclina

Totapen

Trifacilina

Ukapen

Ultrabion

Ultrabron

UNII-7C782967RD

USAN

USAN)

USP

USP)

USP); Ampicillin (BAN

USP); Ampicillin Sodium (FDA

USP); Ampicillin/Ampicillin Trihydrate (FDA)

USP); Ampicillin/Ampicillin Trihydrate (FDA); Ampicillin Sodium (FDA

Vampen

Viccillin

Viccillin S

WY-5103

Wypicil

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) -0.87 2.28 -52.68 3 7 -1 116 348.404 4 ↓

Vendor Notes

Note Type Comments Provided By
M.P 215 °C Indofine
UniProt Database Links 3HBCL_THAAR; 4CL1_ARATH; 4CL1_DICDI; 4CL1_ORYSJ; 4CL1_PETCR; 4CL1_SOLTU; 4CL1_SOYBN; 4CL1_TOBAC; 4CL2_ARATH; 4CL2_DICDI; 4CL2_ORYSJ; 4CL2_PETCR; 4CL2_SOLTU; 4CL2_SOYBN; 4CL2_TOBAC; 4CL3_ARATH; 4CL3_DICDI; 4CL3_ORYSJ; 4CL4_ARATH; 4CL4_ORYSJ; 4CL5_ORYSJ; 4C ChEBI
ALOGPS_SOLUBILITY 6.05e-01 g/l DrugBank-approved
Purity 85% APIChem
Therapy antibacterial SMDC MicroSource
Indications antibiotic KeyOrganics Bioactives
Target Antifection Selleck Chemicals
Patent Database Links EP0826776; EP0953569; EP0997199; EP1359153; EP1452533; EP1514877; EP1527786; EP1593742; EP1604660; EP1607103; EP1625859; EP1642592; EP1754712; EP1808081; EP1829963; EP1887084; EP1916306; EP1988093; GB2157565; GB2321455; US2001006962; US2003105066; US20031 ChEBI
SOLUBILITY H2O: 50 mg/mL, clear, very faintly yellow Indofine
Notes Inhibitor of bacterial cell wall synthesisCell culture tested Apollo Scientific Bioactives
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : A-1482; 1 Sodium NIH Clinical Collection via PubChem
Target Others Selleck Chemicals
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: A-1482; 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
Z50028-1-O Streptococcus Pneumoniae (cluster #1 Of 2), Other Other 1080 0.35 Functional ≤ 10μM
Z50185-3-O Staphylococcus Aureus (cluster #3 Of 4), Other Other 60 0.42 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50185 Z50185 Staphylococcus Aureus 60 0.42 Functional ≤ 10μM
Z50028 Z50028 Streptococcus Pneumoniae 1080 0.35 Functional ≤ 10μM

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